JOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:44:01 SAST 2025

MaxRAM=12.5G
MaxVMSize=0G
AveCPUFreq=0
AveDiskRead=1530815
AveDiskWrite=17931546447

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=RUNNING Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:11 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-11T04:07:50 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:44:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:45:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:46:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:46:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:47:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:48:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:49:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:50:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:51:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:52:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:53:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:54:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:55:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:56:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:57:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:58:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:58:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 01:59:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:00:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:01:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:02:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:03:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:04:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:05:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:06:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:06:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:07:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:08:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:09:32 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:10:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:11:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:12:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:12:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:13:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:14:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:15:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:16:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:17:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:18:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:19:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:20:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:21:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:22:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:23:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:24:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:24:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:25:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:26:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:27:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:28:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:29:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:30:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:31:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:32:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:33:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:34:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:35:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:36:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:36:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:37:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:38:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:39:32 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:40:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:41:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:42:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:43:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:44:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:45:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:46:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:47:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:48:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:49:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:50:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:51:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:52:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:53:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:54:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:55:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:56:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:57:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:58:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 02:59:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:00:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:01:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:02:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:03:32 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:04:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:05:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:06:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:07:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:08:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:09:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:10:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:10:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:11:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:12:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:13:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:14:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:15:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:16:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:16:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:17:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:18:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:19:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:20:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:21:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:22:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:23:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:24:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:25:32 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:26:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:27:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:28:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:29:32 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:30:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:31:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:32:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:33:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:34:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:35:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:36:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:37:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:38:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:39:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:40:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:41:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:42:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:43:32 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:44:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:45:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:46:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:47:32 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:48:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:49:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:50:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:51:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:52:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:53:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:54:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:55:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:56:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:57:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:58:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:58:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 03:59:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:00:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:01:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:02:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:03:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:04:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:05:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:06:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:07:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:08:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:09:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:10:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:10:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:11:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:12:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:13:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:14:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:15:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:16:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:17:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:18:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:19:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:20:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:20:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:21:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:22:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:23:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:24:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:24:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:25:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:26:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:26:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:27:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:28:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:29:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:30:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:31:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:32:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:32:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:33:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:34:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:35:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:36:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:37:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:38:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:39:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:39:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:40:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:41:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:42:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:43:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:44:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:45:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:45:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:46:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:47:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:48:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:49:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:50:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:50:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:51:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:51:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:52:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:52:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:53:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:54:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:55:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:56:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:57:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:58:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:59:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 04:59:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:00:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:01:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:02:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:03:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:03:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:04:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:05:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:06:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:07:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:08:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:09:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:10:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:11:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:11:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:12:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:13:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:14:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:15:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:16:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:17:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:18:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:19:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:20:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:21:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:22:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:22:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:23:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:24:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:25:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:26:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:27:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:28:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:29:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:30:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:31:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:32:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:33:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:34:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:35:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:36:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:37:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:38:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:38:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:39:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:40:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:41:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:42:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:43:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:44:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:45:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:45:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:46:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:47:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:48:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:49:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:49:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:50:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:51:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:51:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:52:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:53:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:54:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:55:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:56:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:57:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:58:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:58:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 05:59:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:00:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:01:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:02:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:02:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:03:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:04:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:05:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:06:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:07:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:07:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:08:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:09:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:10:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:11:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:11:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:12:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:13:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:14:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:15:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:16:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:17:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:18:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:19:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:20:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:21:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:22:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:23:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:24:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:24:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:25:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:26:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:26:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:27:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:28:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:29:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:30:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:31:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:32:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:33:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:34:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:35:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:36:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:37:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:38:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:39:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:40:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:41:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:42:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:43:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:44:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:45:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:45:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:46:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:47:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:48:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:49:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:50:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:51:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:51:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:52:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:53:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:54:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:55:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:56:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:56:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:57:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:58:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 06:59:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:00:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:01:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:02:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:03:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:04:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:04:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:05:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:06:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:07:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:08:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:09:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:09:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:10:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:11:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:11:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:12:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:13:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:13:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:14:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:15:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:15:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:16:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:17:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:17:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:18:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:19:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:19:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:20:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:21:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:21:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:22:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:23:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:24:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:25:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:26:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:27:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:28:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:28:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:29:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:30:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:30:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:31:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:32:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:33:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:34:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:35:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:36:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:37:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:38:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:39:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:40:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:41:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:42:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:43:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:44:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:45:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:45:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:46:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:47:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:48:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:49:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:50:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:51:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:51:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:52:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:53:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:54:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:55:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:56:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:57:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:58:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 07:59:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:00:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:00:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:01:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:02:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:03:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:04:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:05:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:06:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:07:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:08:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:09:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:10:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:11:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:11:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:12:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:13:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:14:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:15:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:16:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:17:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:18:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:19:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:20:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:21:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:22:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:22:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:23:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:24:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:24:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:25:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:26:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:26:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:27:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:28:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:29:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:30:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:31:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:32:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:33:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:34:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:35:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:36:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:37:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:38:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:39:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:40:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:41:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:42:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:43:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:44:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:45:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:45:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:46:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:47:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:48:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:49:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:50:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:51:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:51:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:52:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:53:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:54:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:55:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:56:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:57:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:58:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 08:59:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:00:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:01:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:02:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:02:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:03:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:04:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:05:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:06:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:06:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:07:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:08:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:09:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:10:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:11:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:11:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:12:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:13:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:14:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:15:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:15:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:16:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:17:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:18:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:19:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:20:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:21:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:22:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:23:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:24:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:25:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:26:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:27:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:28:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:28:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:29:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:30:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:31:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:32:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:33:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:34:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:35:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:36:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:37:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:38:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:39:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:40:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:41:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:42:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:43:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:44:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:45:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:45:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:46:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:47:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:48:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:49:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:50:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:51:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:51:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:52:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:53:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:54:39 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:55:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:56:39 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:57:39 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:58:39 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 09:59:39 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:00:39 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:01:39 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:02:39 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:03:41 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:04:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:05:41 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:06:41 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:07:41 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:08:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:08:41 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:09:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:10:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:11:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:11:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:12:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:13:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:14:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:15:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:16:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:17:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:18:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:19:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:20:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:21:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:22:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:23:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:23:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:24:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:25:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:26:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:26:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:27:42 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:28:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:29:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:30:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:31:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:32:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:33:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:34:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:34:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:35:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:36:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:37:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:38:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:39:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:40:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:41:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:42:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:43:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:44:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:45:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:45:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:46:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:47:44 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:48:44 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:49:44 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:50:43 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:51:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:51:44 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:52:44 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:53:44 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:54:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:54:44 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:55:44 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:56:45 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:57:44 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:58:44 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 10:59:45 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:00:44 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:01:45 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:02:45 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:03:45 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:04:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:04:45 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:05:45 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:06:46 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:07:45 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:08:46 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:09:46 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:10:46 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:11:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:11:46 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:12:46 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:13:46 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:14:47 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:15:47 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:16:47 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:17:48 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:18:48 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:19:47 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:20:52 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:21:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:22:48 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:23:47 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:24:48 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:25:48 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:26:48 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:27:49 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:28:49 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:29:49 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:30:48 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:31:49 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:32:49 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:33:49 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:34:49 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:35:50 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:36:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:37:50 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:38:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:39:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:39:50 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:40:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:41:50 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:42:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:43:50 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:44:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:45:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:45:50 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:46:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:47:50 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:48:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:49:51 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:50:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:51:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:51:51 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:52:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:53:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:53:51 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:54:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:55:51 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:56:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:57:51 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:58:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 11:59:52 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:00:32 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:01:52 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:02:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:03:51 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:04:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:05:52 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:06:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:07:52 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:08:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:09:52 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:10:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:11:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:11:52 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:12:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:13:52 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:14:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:15:52 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:16:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:17:52 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:18:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:19:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:20:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:21:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:22:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:23:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:24:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:25:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:26:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:27:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:27:53 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:28:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:29:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:30:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:31:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:32:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:33:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:34:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:35:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:36:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:37:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:38:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:39:54 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:40:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:41:55 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:42:32 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:43:55 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:44:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:45:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:45:55 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:46:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:47:55 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:48:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:49:55 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:50:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:51:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:51:56 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:52:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:53:56 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:54:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:55:56 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:56:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:57:56 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:58:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 12:59:56 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:00:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:01:56 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:02:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:03:57 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:04:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:05:57 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:06:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:07:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:07:57 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:08:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:09:57 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:10:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:11:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:11:57 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:12:31 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:13:57 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:14:32 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:15:48 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:16:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:17:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:18:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:19:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:20:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:21:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:22:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:23:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:24:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:25:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:26:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:27:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:28:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:28:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:29:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:30:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:31:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:32:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:33:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:34:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:34:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:35:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:36:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:37:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:38:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:39:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:40:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:41:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:42:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:43:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:44:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:45:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:45:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:46:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:47:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:48:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:49:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:50:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:51:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:51:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:52:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:53:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:53:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:54:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:55:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:56:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:57:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:58:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 13:59:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:00:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:01:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:02:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:03:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:03:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:04:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:05:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:06:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:07:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:08:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:09:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:10:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:10:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:11:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:11:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:12:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:13:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:14:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:15:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:16:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:17:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:18:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:19:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:20:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:21:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:22:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:23:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:24:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:25:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:25:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:26:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:27:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:28:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:29:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:30:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:30:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:31:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:32:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:33:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:34:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:35:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:36:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:37:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:37:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:38:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:39:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:40:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:41:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:42:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:43:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:44:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:45:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:45:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:46:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:47:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:48:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:49:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:50:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:51:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:51:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:52:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:53:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:54:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:55:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:56:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:57:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:58:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 14:59:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:00:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:01:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:02:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:03:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:03:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:04:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:05:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:06:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:07:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:08:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:09:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:10:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:11:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:11:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:12:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:13:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:14:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:15:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:16:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:16:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:17:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:18:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:19:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:20:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:21:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:22:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:23:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:24:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:25:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:26:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:27:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:28:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:29:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:30:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:31:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:32:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:33:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:34:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:35:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:36:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:37:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:38:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:39:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:40:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:41:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:42:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:43:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:43:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:44:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:45:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:45:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:46:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:47:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:48:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:49:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:50:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:51:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:51:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:52:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:53:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:54:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:55:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:56:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:56:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:57:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:58:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 15:59:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:00:38 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:01:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:02:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:03:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:04:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:05:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:06:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:07:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:08:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:09:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:10:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:11:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:11:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:12:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:13:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:14:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:15:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:16:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:17:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:18:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:19:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:20:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:20:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:21:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:22:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:23:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:24:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:25:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:25:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:26:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:27:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:27:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:28:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:29:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:30:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:31:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:32:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:33:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:34:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:35:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:36:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:37:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:38:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:39:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:40:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:41:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:42:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:43:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:44:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:45:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:45:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:46:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:47:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:48:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:49:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:50:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:51:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:51:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:52:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:52:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:53:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:54:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:55:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:55:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:56:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:57:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:58:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 16:59:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:00:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:01:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:02:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:03:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:04:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:05:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:06:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:07:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:08:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:09:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:10:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:11:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:11:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:12:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:13:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:14:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:15:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:16:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:17:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:18:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:19:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:19:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:20:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:21:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:21:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:22:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:23:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:24:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:25:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:26:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:27:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:28:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:29:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:30:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:31:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:32:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:33:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:34:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:35:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:36:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:37:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:38:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:39:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:40:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:41:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:42:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:43:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:44:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:45:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:45:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:46:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:47:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:48:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:49:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:50:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:51:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:51:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:52:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:53:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:53:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:54:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:55:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:56:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:57:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:58:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 17:59:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:00:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:01:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:02:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:03:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:04:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:05:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:06:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:07:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:08:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:09:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:10:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:11:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:11:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:12:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:13:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:14:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:15:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:16:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:16:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:17:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:18:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:19:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:20:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:21:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:22:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:23:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:24:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:25:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:26:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:27:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:28:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:28:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:29:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:30:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:31:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:32:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:33:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:34:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:35:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:36:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:37:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:38:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:38:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:39:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:40:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:41:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:42:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:43:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:44:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:45:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:45:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:46:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:47:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:48:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:49:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:50:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:51:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:51:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:52:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:52:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:53:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:54:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:55:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:56:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:56:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:57:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:58:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 18:59:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:00:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:01:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:02:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:03:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:04:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:05:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:06:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:07:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:08:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:09:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:10:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:10:37 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:11:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:11:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:12:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:13:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:14:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:15:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:16:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:17:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:18:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:19:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:20:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:21:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:22:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:23:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:24:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:25:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:26:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:27:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:28:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:29:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:30:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:31:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:32:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:33:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:34:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:35:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:36:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:37:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:38:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:39:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:39:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:40:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:41:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:42:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:43:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:44:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:45:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:45:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:46:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:47:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:48:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:49:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:50:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:50:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:51:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:51:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:52:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:53:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:54:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:55:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:55:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:56:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:57:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:58:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 19:59:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:00:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:01:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:02:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:03:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:04:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:05:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:05:36 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:06:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:07:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:08:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:09:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:09:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:10:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:11:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:11:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:12:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:13:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:14:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:15:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:16:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:17:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:18:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:19:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:19:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:20:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:20:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:21:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:22:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:23:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:24:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:25:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:26:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:27:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:28:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:29:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:30:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:30:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:31:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:31:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:32:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:33:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:34:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:35:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:36:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:37:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:38:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:39:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:40:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:41:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:42:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:43:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:44:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:45:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:45:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:46:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:47:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:48:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:49:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:49:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:50:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:50:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:51:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:51:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:52:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:52:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:53:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:54:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:55:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:56:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:57:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:58:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 20:59:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:00:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:01:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:02:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:03:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:04:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:05:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:06:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:07:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:08:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:09:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:10:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:11:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:11:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:12:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:12:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:13:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:14:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:15:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:16:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:17:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:17:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:18:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:19:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:19:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:20:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:20:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:21:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:21:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:22:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:22:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:23:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:23:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:24:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:24:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:25:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:25:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:26:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:26:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:27:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:27:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:28:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:28:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:29:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:29:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:30:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:30:35 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:31:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:31:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:32:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:32:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:33:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:33:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:34:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:34:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:35:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:35:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:36:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:36:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:37:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:37:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:38:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:38:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:39:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:39:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:40:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:40:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:41:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:41:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:42:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:42:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:43:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:43:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:44:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:44:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:45:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:45:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:46:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:46:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:47:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:47:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:48:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:48:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:49:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:49:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:50:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:50:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:51:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:51:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:52:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:52:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:53:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:53:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:54:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:54:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:55:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:55:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:56:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:56:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:57:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:57:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:58:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:58:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:59:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 21:59:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:00:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:00:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:01:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:01:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:02:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:02:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:03:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:03:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:04:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:04:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:05:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:05:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:06:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:06:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:07:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:07:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:08:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:08:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:09:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:09:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:10:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:10:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:11:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:11:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:12:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:12:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:13:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:13:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:14:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:14:33 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:15:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:15:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:16:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:16:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:17:02 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:17:34 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc106 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Unfunctionalized/run_A5/lammps_omp_array2.sh
   WorkDir=/scratch/01415816/MD/Unfunctionalized/run_A5
   StdErr=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Unfunctionalized/run_A5/slurm-332248_4.out
   Power=
   TresPerTask=cpu:12
UCT HPC clusterJOB DETAILS FOR JOB 332248

captured Fri Nov 7 22:18:01 SAST 2025

JobId=332248 ArrayJobId=332248 ArrayTaskId=4 JobName=Unf-runA5
   UserId=01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6683 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-21:36:47 TimeLimit=8-00:00:00 TimeMin=N/A
   SubmitTime=2025-11-03T04:07:49 EligibleTime=2025-11-03T04:07:49
   AccrueTime=2025-11-03T04:07:49
   StartTime=2025-11-03T04:07:50 EndTime=2025-11-07T01:44:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-03T04:07:49 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:2832447
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=