JOB DETAILS FOR JOB 126657

captured Wed May 7 00:55:33 SAST 2025

JobId=126657 JobName=OPT_MD_873K_Co76_ext_20H2O
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7707 Nice=0 Account=a100free QOS=a100free
   JobState=PENDING Reason=QOSMaxGRESPerUser Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:00:00 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-07T00:38:47 EligibleTime=2025-05-07T00:38:47
   AccrueTime=2025-05-07T00:38:47
   StartTime=Unknown EndTime=Unknown Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-07T00:55:32 Scheduler=Backfill:*
   Partition=a100 AllocNode:Sid=srvrochpc100.uct.ac.za:1676997
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=
   NumNodes=1-1 NumCPUs=2 NumTasks=2 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=2,mem=18284M,node=1,billing=4,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=(null)
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   MinCPUsNode=1 MinMemoryCPU=9142M 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-126657.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/slurm-126657.out
   Power=
   TresPerNode=gres/gpu:ampere:1
UCT HPC clusterJOB DETAILS FOR JOB 126657

captured Wed May 7 00:56:02 SAST 2025

JobId=126657 JobName=OPT_MD_873K_Co76_ext_20H2O
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7707 Nice=0 Account=a100free QOS=a100free
   JobState=CANCELLED Reason=QOSMaxGRESPerUser Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:00:00 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-07T00:38:47 EligibleTime=2025-05-07T00:38:47
   AccrueTime=2025-05-07T00:38:47
   StartTime=2025-05-07T00:55:42 EndTime=2025-05-07T00:55:42 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-07T00:55:32 Scheduler=Backfill
   Partition=a100 AllocNode:Sid=srvrochpc100.uct.ac.za:1676997
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=
   NumNodes=1 NumCPUs=2 NumTasks=2 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=2,mem=18284M,node=1,billing=4,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=(null)
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   MinCPUsNode=1 MinMemoryCPU=9142M 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-126657.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/slurm-126657.out
   Power=
   TresPerNode=gres/gpu:ampere:1
UCT HPC clusterJOB DETAILS FOR JOB 126657

captured Wed May 7 00:56:33 SAST 2025

JobId=126657 JobName=OPT_MD_873K_Co76_ext_20H2O
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7707 Nice=0 Account=a100free QOS=a100free
   JobState=CANCELLED Reason=QOSMaxGRESPerUser Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:00:00 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-07T00:38:47 EligibleTime=2025-05-07T00:38:47
   AccrueTime=2025-05-07T00:38:47
   StartTime=2025-05-07T00:55:42 EndTime=2025-05-07T00:55:42 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-07T00:55:32 Scheduler=Backfill
   Partition=a100 AllocNode:Sid=srvrochpc100.uct.ac.za:1676997
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=
   NumNodes=1 NumCPUs=2 NumTasks=2 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=2,mem=18284M,node=1,billing=4,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=(null)
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   MinCPUsNode=1 MinMemoryCPU=9142M 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-126657.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/slurm-126657.out
   Power=
   TresPerNode=gres/gpu:ampere:1
UCT HPC clusterJOB DETAILS FOR JOB 126657

captured Wed May 7 00:57:02 SAST 2025

JobId=126657 JobName=OPT_MD_873K_Co76_ext_20H2O
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7707 Nice=0 Account=a100free QOS=a100free
   JobState=CANCELLED Reason=QOSMaxGRESPerUser Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:00:00 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-07T00:38:47 EligibleTime=2025-05-07T00:38:47
   AccrueTime=2025-05-07T00:38:47
   StartTime=2025-05-07T00:55:42 EndTime=2025-05-07T00:55:42 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-07T00:55:32 Scheduler=Backfill
   Partition=a100 AllocNode:Sid=srvrochpc100.uct.ac.za:1676997
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=
   NumNodes=1 NumCPUs=2 NumTasks=2 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=2,mem=18284M,node=1,billing=4,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=(null)
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   MinCPUsNode=1 MinMemoryCPU=9142M 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-126657.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/slurm-126657.out
   Power=
   TresPerNode=gres/gpu:ampere:1
UCT HPC clusterJOB DETAILS FOR JOB 126657

captured Wed May 7 00:57:33 SAST 2025

JobId=126657 JobName=OPT_MD_873K_Co76_ext_20H2O
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7707 Nice=0 Account=a100free QOS=a100free
   JobState=CANCELLED Reason=QOSMaxGRESPerUser Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:00:00 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-07T00:38:47 EligibleTime=2025-05-07T00:38:47
   AccrueTime=2025-05-07T00:38:47
   StartTime=2025-05-07T00:55:42 EndTime=2025-05-07T00:55:42 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-07T00:55:32 Scheduler=Backfill
   Partition=a100 AllocNode:Sid=srvrochpc100.uct.ac.za:1676997
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=
   NumNodes=1 NumCPUs=2 NumTasks=2 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=2,mem=18284M,node=1,billing=4,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=(null)
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   MinCPUsNode=1 MinMemoryCPU=9142M 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-126657.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/slurm-126657.out
   Power=
   TresPerNode=gres/gpu:ampere:1
UCT HPC clusterJOB DETAILS FOR JOB 126657

captured Wed May 7 00:58:02 SAST 2025

JobId=126657 JobName=OPT_MD_873K_Co76_ext_20H2O
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7707 Nice=0 Account=a100free QOS=a100free
   JobState=CANCELLED Reason=QOSMaxGRESPerUser Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:00:00 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-07T00:38:47 EligibleTime=2025-05-07T00:38:47
   AccrueTime=2025-05-07T00:38:47
   StartTime=2025-05-07T00:55:42 EndTime=2025-05-07T00:55:42 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-07T00:55:32 Scheduler=Backfill
   Partition=a100 AllocNode:Sid=srvrochpc100.uct.ac.za:1676997
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=
   NumNodes=1 NumCPUs=2 NumTasks=2 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=2,mem=18284M,node=1,billing=4,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=(null)
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   MinCPUsNode=1 MinMemoryCPU=9142M 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-126657.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20H2O_1L/MD_873K_V40_ext/v2c/slurm-126657.out
   Power=
   TresPerNode=gres/gpu:ampere:1