UCT HPC cluster

JOB DETAILS FOR JOB 152894

captured Fri May 30 15:18:32 SAST 2025

MaxRAM=4.6G
MaxVMSize=0G
AveCPUFreq=3.24M
AveDiskRead=945418696
AveDiskWrite=197316321

JobId=152894 JobName=desmond_min_5EZ
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7314 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=00:02:44 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-30T15:15:48 EligibleTime=2025-05-30T15:15:48
   AccrueTime=2025-05-30T15:15:48
   StartTime=2025-05-30T15:15:48 EndTime=2025-06-01T15:15:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-30T15:15:48 Scheduler=Main
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:1507336
   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=28 Mem=10000 GRES=gpu:l40s:1(IDX:1)
   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/srvrochpc001-6839a/srvrochpc001-0-6839af83.batch
   WorkDir=/scratch/chdbha001/MD/H3D025101/desmond_min_5EZR-H3D025101
   Comment=SchrodingerJobId=srvrochpc001-0-6839af83 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-6839a/srvrochpc001-0-6839af83.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-6839a/srvrochpc001-0-6839af83.qlog
   Power=
   TresPerNode=gres/gpu:l40s:1

UCT HPC clusterJOB DETAILS FOR JOB 152894

captured Fri May 30 15:19:01 SAST 2025

JobId=152894 JobName=desmond_min_5EZ
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7314 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=00:03:10 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-30T15:15:48 EligibleTime=2025-05-30T15:15:48
   AccrueTime=2025-05-30T15:15:48
   StartTime=2025-05-30T15:15:48 EndTime=2025-05-30T15:18:58 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-30T15:15:48 Scheduler=Main
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:1507336
   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=28 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/srvrochpc001-6839a/srvrochpc001-0-6839af83.batch
   WorkDir=/scratch/chdbha001/MD/H3D025101/desmond_min_5EZR-H3D025101
   Comment=SchrodingerJobId=srvrochpc001-0-6839af83 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-6839a/srvrochpc001-0-6839af83.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-6839a/srvrochpc001-0-6839af83.qlog
   Power=
   TresPerNode=gres/gpu:l40s:1

UCT HPC clusterJOB DETAILS FOR JOB 152894

captured Fri May 30 15:19:32 SAST 2025

JobId=152894 JobName=desmond_min_5EZ
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7314 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=00:03:10 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-30T15:15:48 EligibleTime=2025-05-30T15:15:48
   AccrueTime=2025-05-30T15:15:48
   StartTime=2025-05-30T15:15:48 EndTime=2025-05-30T15:18:58 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-30T15:15:48 Scheduler=Main
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:1507336
   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=28 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/srvrochpc001-6839a/srvrochpc001-0-6839af83.batch
   WorkDir=/scratch/chdbha001/MD/H3D025101/desmond_min_5EZR-H3D025101
   Comment=SchrodingerJobId=srvrochpc001-0-6839af83 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-6839a/srvrochpc001-0-6839af83.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-6839a/srvrochpc001-0-6839af83.qlog
   Power=
   TresPerNode=gres/gpu:l40s:1

UCT HPC clusterJOB DETAILS FOR JOB 152894

captured Fri May 30 15:20:02 SAST 2025

JobId=152894 JobName=desmond_min_5EZ
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7314 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=00:03:10 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-30T15:15:48 EligibleTime=2025-05-30T15:15:48
   AccrueTime=2025-05-30T15:15:48
   StartTime=2025-05-30T15:15:48 EndTime=2025-05-30T15:18:58 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-30T15:15:48 Scheduler=Main
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:1507336
   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=28 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/srvrochpc001-6839a/srvrochpc001-0-6839af83.batch
   WorkDir=/scratch/chdbha001/MD/H3D025101/desmond_min_5EZR-H3D025101
   Comment=SchrodingerJobId=srvrochpc001-0-6839af83 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-6839a/srvrochpc001-0-6839af83.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-6839a/srvrochpc001-0-6839af83.qlog
   Power=
   TresPerNode=gres/gpu:l40s:1

UCT HPC clusterJOB DETAILS FOR JOB 152894

captured Fri May 30 15:20:33 SAST 2025

JobId=152894 JobName=desmond_min_5EZ
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7314 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=00:03:10 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-30T15:15:48 EligibleTime=2025-05-30T15:15:48
   AccrueTime=2025-05-30T15:15:48
   StartTime=2025-05-30T15:15:48 EndTime=2025-05-30T15:18:58 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-30T15:15:48 Scheduler=Main
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:1507336
   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=28 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/srvrochpc001-6839a/srvrochpc001-0-6839af83.batch
   WorkDir=/scratch/chdbha001/MD/H3D025101/desmond_min_5EZR-H3D025101
   Comment=SchrodingerJobId=srvrochpc001-0-6839af83 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-6839a/srvrochpc001-0-6839af83.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-6839a/srvrochpc001-0-6839af83.qlog
   Power=
   TresPerNode=gres/gpu:l40s:1

UCT HPC clusterJOB DETAILS FOR JOB 152894

captured Fri May 30 15:21:01 SAST 2025

JobId=152894 JobName=desmond_min_5EZ
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7314 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=00:03:10 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-05-30T15:15:48 EligibleTime=2025-05-30T15:15:48
   AccrueTime=2025-05-30T15:15:48
   StartTime=2025-05-30T15:15:48 EndTime=2025-05-30T15:18:58 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-05-30T15:15:48 Scheduler=Main
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:1507336
   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=28 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/srvrochpc001-6839a/srvrochpc001-0-6839af83.batch
   WorkDir=/scratch/chdbha001/MD/H3D025101/desmond_min_5EZR-H3D025101
   Comment=SchrodingerJobId=srvrochpc001-0-6839af83 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-6839a/srvrochpc001-0-6839af83.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-6839a/srvrochpc001-0-6839af83.qlog
   Power=
   TresPerNode=gres/gpu:l40s:1