UCT HPC cluster

JOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:42:34 SAST 2025

MaxRAM=12.5G
MaxVMSize=0G
AveCPUFreq=1K
AveDiskRead=2927583
AveDiskWrite=17810613916

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=RUNNING Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:32 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-13T02:51:02 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:43:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:43:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:44:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:44:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:45:02 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:45:35 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:46:02 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:46:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:47:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:47:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:48:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:48:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:49:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:49:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:50:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:50:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:51:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:51:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:52:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:52:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:53:02 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:53:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:54:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:54:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:55:02 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:55:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:56:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:56:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:57:02 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:57:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:58:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:58:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:59:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 01:59:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:00:02 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:00:35 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:01:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:01:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:02:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:02:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:03:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:03:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:04:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:04:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:05:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:05:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:06:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:06:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:07:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:07:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:08:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:08:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:09:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:09:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:10:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:10:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:11:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:11:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:12:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:12:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:13:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:13:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:14:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:14:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:15:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:15:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:16:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:16:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:17:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:17:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:18:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:18:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:19:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:19:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:20:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:20:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:21:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:21:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:22:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:22:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:23:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:23:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:24:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:24:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:25:02 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:25:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:26:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:26:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:27:02 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:27:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:28:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:28:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:29:02 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:29:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:30:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:30:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:31:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:31:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:32:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:32:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:33:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:33:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:34:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:34:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:35:02 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:35:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:36:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:36:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:37:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:37:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:38:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:38:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:39:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:39:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:40:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:40:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:41:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:41:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:42:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:42:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:43:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:43:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:44:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:44:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:45:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:45:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:46:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:46:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:47:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:47:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:48:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:48:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:49:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:49:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:50:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:50:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:51:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:51:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:52:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:52:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:53:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:53:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:54:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:54:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:55:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:55:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:56:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:56:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:57:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:57:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:58:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:58:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:59:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 02:59:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 03:00:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 03:00:34 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 03:01:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 03:01:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 03:02:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 03:02:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 03:03:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 03:03:33 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404358

captured Thu Dec 11 03:04:01 SAST 2025

01415816(1767272628 Gerhard Venter) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6729 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-22:51:49 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:51:01 EligibleTime=2025-12-09T02:51:01
   AccrueTime=2025-12-09T02:51:01
   StartTime=2025-12-09T02:51:02 EndTime=2025-12-11T01:42:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:51:01 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc113
   BatchHost=srvrochpc113
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc113 CPU_IDs=12-23 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1
   StdErr=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Na-C4C1pyr-FSI/NaFSI-0.1/slurm-404358_5.out
   Power=
   TresPerTask=cpu:12