UCT HPC cluster

JOB DETAILS FOR JOB 404353

captured Thu Dec 11 02:59:01 SAST 2025

MaxRAM=12.5G
MaxVMSize=0G
AveCPUFreq=1K
AveDiskRead=2927583
AveDiskWrite=17809911069

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=2-00:09:21 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-13T02:49:40 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:04:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:05:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:05:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:06:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:06:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:07:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:07:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:08:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:08:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:09:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:09:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:10:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:10:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:11:02 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:11:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:12:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:12:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:13:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:13:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:14:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:14:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:15:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:15:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:16:02 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:16:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:17:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:17:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:18:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:18:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:19:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:19:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:20:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:20:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:21:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:21:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:22:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:22:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:23:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:23:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:24:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:24:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:25:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:25:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:26:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:26:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:27:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:27:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:28:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:28:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:29:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:29:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:30:02 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:30:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:31:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:31:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:32:02 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:32:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:33:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:33:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:34:02 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:34:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:35:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:35:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:36:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:36:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:37:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:37:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:38:02 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:38:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:39:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:39:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:40:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:40:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:41:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:41:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:42:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:42:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:43:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:43:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:44:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:44:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:45:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:45:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:46:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:46:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:47:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:47:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:48:02 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:48:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:49:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:49:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:50:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:50:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:51:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:51:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:52:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:52:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:53:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:53:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:54:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:54:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:55:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:55:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:56:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:56:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:57:02 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:57:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:58:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:58:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:59:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 03:59:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:00:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:00:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:01:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:01:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:02:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:02:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:03:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:03:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:04:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:04:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:05:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:05:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:06:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:06:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:07:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:07:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:08:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:08:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:09:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:09:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:10:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:10:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:11:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:11:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:12:02 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:12:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:13:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:13:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:14:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:14:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:15:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:15:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:16:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:16:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:17:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:17:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:18:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:18:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:19:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:19:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:20:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:20:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:21:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:21:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:22:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:22:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:23:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:23:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:24:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:24:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:25:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:25:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:26:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:26:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:27:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:27:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:28:02 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:28:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:29:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:29:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:30:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:30:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:31:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:31:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:32:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:32:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:33:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:33:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:34:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:34:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:35:02 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:35:34 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:36:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:36:33 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:37:01 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=2-00:09:25 TimeLimit=4-00:00:00 TimeMin=N/A
   SubmitTime=2025-12-09T02:49:39 EligibleTime=2025-12-09T02:49:39
   AccrueTime=2025-12-09T02:49:39
   StartTime=2025-12-09T02:49:40 EndTime=2025-12-11T02:59:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-12-09T02:49:39 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:3487999
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc112
   BatchHost=srvrochpc112
   NumNodes=1 NumCPUs=12 NumTasks=1 CPUs/Task=12 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=12,mem=12G,node=1,billing=13
   AllocTRES=cpu=12,mem=12G,node=1,billing=13
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc112 CPU_IDs=0-11 Mem=12288 GRES=
   MinCPUsNode=12 MinMemoryNode=12G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/lammps_omp_array.sh
   WorkDir=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1
   StdErr=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   StdIn=/dev/null
   StdOut=/scratch/01415816/MD/Li-C4C1pyr-FSI/LiFSI-0.1/slurm-404353_5.out
   Power=
   TresPerTask=cpu:12

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:37:33 SAST 2025

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:38:01 SAST 2025

UCT HPC clusterJOB DETAILS FOR JOB 404353

captured Thu Dec 11 04:38:34 SAST 2025