JOB DETAILS FOR JOB 126656

captured Wed May 7 00:36:33 SAST 2025

JobId=126656 JobName=OPT_MD_873K_Co76_ext_20H2O
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6758 Nice=0 Account=chemeng QOS=normal
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=1:0
   DerivedExitCode=0:0
   RunTime=00:00:10 TimeLimit=8-08:00:00 TimeMin=N/A
   SubmitTime=2025-05-07T00:36:13 EligibleTime=2025-05-07T00:36:13
   AccrueTime=2025-05-07T00:36:13
   StartTime=2025-05-07T00:36:14 EndTime=2025-05-07T00:36:24 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-07T00:36:14 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100.uct.ac.za:1676997
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc100
   BatchHost=srvrochpc100
   NumNodes=1 NumCPUs=3 NumTasks=3 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=3,mem=24000M,node=1,billing=5
   AllocTRES=cpu=3,mem=24000M,node=1,billing=5
   Socks/Node=* NtasksPerN:B:S:C=3:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc100 CPU_IDs=22,46-47 Mem=24000 GRES=
   MinCPUsNode=3 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/run_MD.sh
   WorkDir=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c
   StdErr=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/slurm-126656.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/slurm-126656.out
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 126656

captured Wed May 7 00:37:02 SAST 2025

JobId=126656 JobName=OPT_MD_873K_Co76_ext_20H2O
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6758 Nice=0 Account=chemeng QOS=normal
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=1:0
   DerivedExitCode=0:0
   RunTime=00:00:10 TimeLimit=8-08:00:00 TimeMin=N/A
   SubmitTime=2025-05-07T00:36:13 EligibleTime=2025-05-07T00:36:13
   AccrueTime=2025-05-07T00:36:13
   StartTime=2025-05-07T00:36:14 EndTime=2025-05-07T00:36:24 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-07T00:36:14 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100.uct.ac.za:1676997
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc100
   BatchHost=srvrochpc100
   NumNodes=1 NumCPUs=3 NumTasks=3 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=3,mem=24000M,node=1,billing=5
   AllocTRES=cpu=3,mem=24000M,node=1,billing=5
   Socks/Node=* NtasksPerN:B:S:C=3:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc100 CPU_IDs=22,46-47 Mem=24000 GRES=
   MinCPUsNode=3 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/run_MD.sh
   WorkDir=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c
   StdErr=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/slurm-126656.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/slurm-126656.out
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 126656

captured Wed May 7 00:37:33 SAST 2025

JobId=126656 JobName=OPT_MD_873K_Co76_ext_20H2O
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6758 Nice=0 Account=chemeng QOS=normal
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=1:0
   DerivedExitCode=0:0
   RunTime=00:00:10 TimeLimit=8-08:00:00 TimeMin=N/A
   SubmitTime=2025-05-07T00:36:13 EligibleTime=2025-05-07T00:36:13
   AccrueTime=2025-05-07T00:36:13
   StartTime=2025-05-07T00:36:14 EndTime=2025-05-07T00:36:24 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-07T00:36:14 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100.uct.ac.za:1676997
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc100
   BatchHost=srvrochpc100
   NumNodes=1 NumCPUs=3 NumTasks=3 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=3,mem=24000M,node=1,billing=5
   AllocTRES=cpu=3,mem=24000M,node=1,billing=5
   Socks/Node=* NtasksPerN:B:S:C=3:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc100 CPU_IDs=22,46-47 Mem=24000 GRES=
   MinCPUsNode=3 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/run_MD.sh
   WorkDir=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c
   StdErr=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/slurm-126656.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/slurm-126656.out
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 126656

captured Wed May 7 00:38:02 SAST 2025

JobId=126656 JobName=OPT_MD_873K_Co76_ext_20H2O
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6758 Nice=0 Account=chemeng QOS=normal
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=1:0
   DerivedExitCode=0:0
   RunTime=00:00:10 TimeLimit=8-08:00:00 TimeMin=N/A
   SubmitTime=2025-05-07T00:36:13 EligibleTime=2025-05-07T00:36:13
   AccrueTime=2025-05-07T00:36:13
   StartTime=2025-05-07T00:36:14 EndTime=2025-05-07T00:36:24 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-07T00:36:14 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100.uct.ac.za:1676997
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc100
   BatchHost=srvrochpc100
   NumNodes=1 NumCPUs=3 NumTasks=3 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=3,mem=24000M,node=1,billing=5
   AllocTRES=cpu=3,mem=24000M,node=1,billing=5
   Socks/Node=* NtasksPerN:B:S:C=3:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc100 CPU_IDs=22,46-47 Mem=24000 GRES=
   MinCPUsNode=3 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/run_MD.sh
   WorkDir=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c
   StdErr=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/slurm-126656.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/slurm-126656.out
   Power=