UCT HPC cluster

JOB DETAILS FOR JOB 1617070

captured Wed Nov 11 01:27:34 SAST 2026

MaxRAM=2.1G
MaxVMSize=0G
AveCPUFreq=2.90M
AveDiskRead=6622194185
AveDiskWrite=2545932961

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7769 Nice=0 Account=a100free QOS=a100free
   JobState=RUNNING Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:04:16 TimeLimit=00:45:00 TimeMin=N/A
   SubmitTime=2026-11-10T23:37:23 EligibleTime=2026-11-11T01:23:18
   AccrueTime=Unknown
   StartTime=2026-11-11T01:23:18 EndTime=2026-11-11T02:08:18 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-11-11T01:23:18 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:1979334
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=32G,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=32G,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=4-7 Mem=32768 GRES=gpu:ampere:1(IDX:2)
   MinCPUsNode=4 MinMemoryNode=32G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1/jobs/run.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1/logs/rawpfn_run_1616947_0.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1/logs/rawpfn_run_1616947_0.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4

UCT HPC clusterJOB DETAILS FOR JOB 1617070

captured Wed Nov 11 01:28:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7769 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:04:28 TimeLimit=00:45:00 TimeMin=N/A
   SubmitTime=2026-11-10T23:37:23 EligibleTime=2026-11-11T01:23:18
   AccrueTime=Unknown
   StartTime=2026-11-11T01:23:18 EndTime=2026-11-11T01:27:46 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-11-11T01:23:18 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:1979334
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=32G,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=32G,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=4-7 Mem=32768 GRES=
   MinCPUsNode=4 MinMemoryNode=32G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1/jobs/run.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1/logs/rawpfn_run_1616947_0.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1/logs/rawpfn_run_1616947_0.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4

UCT HPC clusterJOB DETAILS FOR JOB 1617070

captured Wed Nov 11 01:28:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7769 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:04:28 TimeLimit=00:45:00 TimeMin=N/A
   SubmitTime=2026-11-10T23:37:23 EligibleTime=2026-11-11T01:23:18
   AccrueTime=Unknown
   StartTime=2026-11-11T01:23:18 EndTime=2026-11-11T01:27:46 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-11-11T01:23:18 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:1979334
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=32G,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=32G,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=4-7 Mem=32768 GRES=
   MinCPUsNode=4 MinMemoryNode=32G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1/jobs/run.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1/logs/rawpfn_run_1616947_0.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1/logs/rawpfn_run_1616947_0.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4

UCT HPC clusterJOB DETAILS FOR JOB 1617070

captured Wed Nov 11 01:29:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7769 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:04:28 TimeLimit=00:45:00 TimeMin=N/A
   SubmitTime=2026-11-10T23:37:23 EligibleTime=2026-11-11T01:23:18
   AccrueTime=Unknown
   StartTime=2026-11-11T01:23:18 EndTime=2026-11-11T01:27:46 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-11-11T01:23:18 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:1979334
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=32G,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=32G,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=4-7 Mem=32768 GRES=
   MinCPUsNode=4 MinMemoryNode=32G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1/jobs/run.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1/logs/rawpfn_run_1616947_0.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_modules_v1/minimal_followup_v1/logs/rawpfn_run_1616947_0.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4