JOB DETAILS FOR JOB 126547

captured Wed May 7 00:18:32 SAST 2025

MaxRAM=1.2G
MaxVMSize=0G
AveCPUFreq=800K
AveDiskRead=186354569
AveDiskWrite=35589331

JobId=126547 JobName=OPT_MD_500K_Co76_ext_20OH
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7729 Nice=0 Account=a100free QOS=a100free
   JobState=RUNNING Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=01:20:35 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-06T22:57:57 EligibleTime=2025-05-06T22:57:57
   AccrueTime=2025-05-06T22:57:57
   StartTime=2025-05-06T22:57:57 EndTime=2025-05-07T22:57:57 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-06T22:57:57 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc100.uct.ac.za:1633133
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=4 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=36568M,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=36568M,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=0-1,28-29 Mem=36568 GRES=gpu:ampere:1(IDX:0)
   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_20OH_1L/MD_500K_V40_ext/v2c_larger/run_MD.sh
   WorkDir=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger
   StdErr=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger/slurm-126547.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger/slurm-126547.out
   Power=
   TresPerNode=gres/gpu:ampere:1
UCT HPC clusterJOB DETAILS FOR JOB 126547

captured Wed May 7 00:19:01 SAST 2025

JobId=126547 JobName=OPT_MD_500K_Co76_ext_20OH
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7729 Nice=0 Account=a100free QOS=a100free
   JobState=CANCELLED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:15
   DerivedExitCode=0:0
   RunTime=01:20:54 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-06T22:57:57 EligibleTime=2025-05-06T22:57:57
   AccrueTime=2025-05-06T22:57:57
   StartTime=2025-05-06T22:57:57 EndTime=2025-05-07T00:18:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-06T22:57:57 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc100.uct.ac.za:1633133
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=4 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=36568M,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=36568M,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=0-1,28-29 Mem=36568 GRES=
   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_20OH_1L/MD_500K_V40_ext/v2c_larger/run_MD.sh
   WorkDir=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger
   StdErr=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger/slurm-126547.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger/slurm-126547.out
   Power=
   TresPerNode=gres/gpu:ampere:1
UCT HPC clusterJOB DETAILS FOR JOB 126547

captured Wed May 7 00:19:32 SAST 2025

JobId=126547 JobName=OPT_MD_500K_Co76_ext_20OH
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7729 Nice=0 Account=a100free QOS=a100free
   JobState=CANCELLED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:15
   DerivedExitCode=0:0
   RunTime=01:20:54 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-06T22:57:57 EligibleTime=2025-05-06T22:57:57
   AccrueTime=2025-05-06T22:57:57
   StartTime=2025-05-06T22:57:57 EndTime=2025-05-07T00:18:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-06T22:57:57 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc100.uct.ac.za:1633133
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=4 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=36568M,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=36568M,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=0-1,28-29 Mem=36568 GRES=
   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_20OH_1L/MD_500K_V40_ext/v2c_larger/run_MD.sh
   WorkDir=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger
   StdErr=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger/slurm-126547.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger/slurm-126547.out
   Power=
   TresPerNode=gres/gpu:ampere:1
UCT HPC clusterJOB DETAILS FOR JOB 126547

captured Wed May 7 00:20:01 SAST 2025

JobId=126547 JobName=OPT_MD_500K_Co76_ext_20OH
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7729 Nice=0 Account=a100free QOS=a100free
   JobState=CANCELLED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:15
   DerivedExitCode=0:0
   RunTime=01:20:54 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-06T22:57:57 EligibleTime=2025-05-06T22:57:57
   AccrueTime=2025-05-06T22:57:57
   StartTime=2025-05-06T22:57:57 EndTime=2025-05-07T00:18:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-06T22:57:57 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc100.uct.ac.za:1633133
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=4 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=36568M,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=36568M,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=0-1,28-29 Mem=36568 GRES=
   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_20OH_1L/MD_500K_V40_ext/v2c_larger/run_MD.sh
   WorkDir=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger
   StdErr=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger/slurm-126547.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger/slurm-126547.out
   Power=
   TresPerNode=gres/gpu:ampere:1
UCT HPC clusterJOB DETAILS FOR JOB 126547

captured Wed May 7 00:20:32 SAST 2025

JobId=126547 JobName=OPT_MD_500K_Co76_ext_20OH
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7729 Nice=0 Account=a100free QOS=a100free
   JobState=CANCELLED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:15
   DerivedExitCode=0:0
   RunTime=01:20:54 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-06T22:57:57 EligibleTime=2025-05-06T22:57:57
   AccrueTime=2025-05-06T22:57:57
   StartTime=2025-05-06T22:57:57 EndTime=2025-05-07T00:18:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-06T22:57:57 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc100.uct.ac.za:1633133
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=4 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=36568M,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=36568M,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=0-1,28-29 Mem=36568 GRES=
   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_20OH_1L/MD_500K_V40_ext/v2c_larger/run_MD.sh
   WorkDir=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger
   StdErr=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger/slurm-126547.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger/slurm-126547.out
   Power=
   TresPerNode=gres/gpu:ampere:1
UCT HPC clusterJOB DETAILS FOR JOB 126547

captured Wed May 7 00:21:01 SAST 2025

JobId=126547 JobName=OPT_MD_500K_Co76_ext_20OH
   UserId=rgxyat001(1022120764 Yatheshth Ragoo) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7729 Nice=0 Account=a100free QOS=a100free
   JobState=CANCELLED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:15
   DerivedExitCode=0:0
   RunTime=01:20:54 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-06T22:57:57 EligibleTime=2025-05-06T22:57:57
   AccrueTime=2025-05-06T22:57:57
   StartTime=2025-05-06T22:57:57 EndTime=2025-05-07T00:18:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-06T22:57:57 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc100.uct.ac.za:1633133
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=4 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=36568M,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=36568M,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=0-1,28-29 Mem=36568 GRES=
   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_20OH_1L/MD_500K_V40_ext/v2c_larger/run_MD.sh
   WorkDir=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger
   StdErr=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger/slurm-126547.out
   StdIn=/dev/null
   StdOut=/scratch/rgxyat001/nano/cluster_vs_inverse/Co19/anatase101/nopreH_2L/Co76_20OH_1L/MD_500K_V40_ext/v2c_larger/slurm-126547.out
   Power=
   TresPerNode=gres/gpu:ampere:1