UCT HPC cluster

JOB DETAILS FOR JOB 153723

captured Thu Jun 5 20:38:01 SAST 2025

MaxRAM=6.6G
MaxVMSize=0G
AveCPUFreq=8K
AveDiskRead=4058551889
AveDiskWrite=896319635

JobId=153723 JobName=desmond_md_5EZR
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7295 Nice=0 Account=l40sfree QOS=l40sfree
   JobState=RUNNING Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-04:47:07 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-06-04T15:50:54 EligibleTime=2025-06-04T15:50:54
   AccrueTime=2025-06-04T15:50:54
   StartTime=2025-06-04T15:50:54 EndTime=2025-06-06T15:50:54 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-06-04T15:50:54 Scheduler=Main
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:30524
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu012
   BatchHost=srvrocgpu012
   NumNodes=1 NumCPUs=1 NumTasks=1 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=1,mem=10000M,node=1,billing=1,gres/gpu=1,gres/gpu:l40s=1
   AllocTRES=cpu=1,mem=10000M,node=1,billing=1,gres/gpu=1,gres/gpu:l40s=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:l40s:1
     Nodes=srvrocgpu012 CPU_IDs=24 Mem=10000 GRES=gpu:l40s:1(IDX:0)
   MinCPUsNode=1 MinMemoryCPU=10000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.batch
   WorkDir=/scratch/chdbha001/MD/H3D026039/desmond_md_5EZR-H3D026039
   Comment=SchrodingerJobId=srvrochpc001-0-68404f3c 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.qlog
   Power=
   TresPerNode=gres/gpu:l40s:1

UCT HPC clusterJOB DETAILS FOR JOB 153723

captured Thu Jun 5 20:38:42 SAST 2025

JobId=153723 JobName=desmond_md_5EZR
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7295 Nice=0 Account=l40sfree QOS=l40sfree
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-04:47:37 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-06-04T15:50:54 EligibleTime=2025-06-04T15:50:54
   AccrueTime=2025-06-04T15:50:54
   StartTime=2025-06-04T15:50:54 EndTime=2025-06-05T20:38:31 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-06-04T15:50:54 Scheduler=Main
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:30524
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu012
   BatchHost=srvrocgpu012
   NumNodes=1 NumCPUs=1 NumTasks=1 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=1,mem=10000M,node=1,billing=1,gres/gpu=1,gres/gpu:l40s=1
   AllocTRES=cpu=1,mem=10000M,node=1,billing=1,gres/gpu=1,gres/gpu:l40s=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:l40s:1
     Nodes=srvrocgpu012 CPU_IDs=24 Mem=10000 GRES=
   MinCPUsNode=1 MinMemoryCPU=10000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.batch
   WorkDir=/scratch/chdbha001/MD/H3D026039/desmond_md_5EZR-H3D026039
   Comment=SchrodingerJobId=srvrochpc001-0-68404f3c 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.qlog
   Power=
   TresPerNode=gres/gpu:l40s:1

UCT HPC clusterJOB DETAILS FOR JOB 153723

captured Thu Jun 5 20:39:01 SAST 2025

JobId=153723 JobName=desmond_md_5EZR
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7295 Nice=0 Account=l40sfree QOS=l40sfree
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-04:47:37 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-06-04T15:50:54 EligibleTime=2025-06-04T15:50:54
   AccrueTime=2025-06-04T15:50:54
   StartTime=2025-06-04T15:50:54 EndTime=2025-06-05T20:38:31 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-06-04T15:50:54 Scheduler=Main
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:30524
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu012
   BatchHost=srvrocgpu012
   NumNodes=1 NumCPUs=1 NumTasks=1 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=1,mem=10000M,node=1,billing=1,gres/gpu=1,gres/gpu:l40s=1
   AllocTRES=cpu=1,mem=10000M,node=1,billing=1,gres/gpu=1,gres/gpu:l40s=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:l40s:1
     Nodes=srvrocgpu012 CPU_IDs=24 Mem=10000 GRES=
   MinCPUsNode=1 MinMemoryCPU=10000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.batch
   WorkDir=/scratch/chdbha001/MD/H3D026039/desmond_md_5EZR-H3D026039
   Comment=SchrodingerJobId=srvrochpc001-0-68404f3c 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.qlog
   Power=
   TresPerNode=gres/gpu:l40s:1

UCT HPC clusterJOB DETAILS FOR JOB 153723

captured Thu Jun 5 20:39:42 SAST 2025

JobId=153723 JobName=desmond_md_5EZR
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7295 Nice=0 Account=l40sfree QOS=l40sfree
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-04:47:37 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-06-04T15:50:54 EligibleTime=2025-06-04T15:50:54
   AccrueTime=2025-06-04T15:50:54
   StartTime=2025-06-04T15:50:54 EndTime=2025-06-05T20:38:31 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-06-04T15:50:54 Scheduler=Main
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:30524
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu012
   BatchHost=srvrocgpu012
   NumNodes=1 NumCPUs=1 NumTasks=1 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=1,mem=10000M,node=1,billing=1,gres/gpu=1,gres/gpu:l40s=1
   AllocTRES=cpu=1,mem=10000M,node=1,billing=1,gres/gpu=1,gres/gpu:l40s=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:l40s:1
     Nodes=srvrocgpu012 CPU_IDs=24 Mem=10000 GRES=
   MinCPUsNode=1 MinMemoryCPU=10000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.batch
   WorkDir=/scratch/chdbha001/MD/H3D026039/desmond_md_5EZR-H3D026039
   Comment=SchrodingerJobId=srvrochpc001-0-68404f3c 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.qlog
   Power=
   TresPerNode=gres/gpu:l40s:1

UCT HPC clusterJOB DETAILS FOR JOB 153723

captured Thu Jun 5 20:40:01 SAST 2025

JobId=153723 JobName=desmond_md_5EZR
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7295 Nice=0 Account=l40sfree QOS=l40sfree
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-04:47:37 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-06-04T15:50:54 EligibleTime=2025-06-04T15:50:54
   AccrueTime=2025-06-04T15:50:54
   StartTime=2025-06-04T15:50:54 EndTime=2025-06-05T20:38:31 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-06-04T15:50:54 Scheduler=Main
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:30524
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu012
   BatchHost=srvrocgpu012
   NumNodes=1 NumCPUs=1 NumTasks=1 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=1,mem=10000M,node=1,billing=1,gres/gpu=1,gres/gpu:l40s=1
   AllocTRES=cpu=1,mem=10000M,node=1,billing=1,gres/gpu=1,gres/gpu:l40s=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:l40s:1
     Nodes=srvrocgpu012 CPU_IDs=24 Mem=10000 GRES=
   MinCPUsNode=1 MinMemoryCPU=10000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.batch
   WorkDir=/scratch/chdbha001/MD/H3D026039/desmond_md_5EZR-H3D026039
   Comment=SchrodingerJobId=srvrochpc001-0-68404f3c 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-68404/srvrochpc001-0-68404f3c.qlog
   Power=
   TresPerNode=gres/gpu:l40s:1