JOB DETAILS FOR JOB 1417985

captured Thu Oct 8 03:57:38 SAST 2026

MaxRAM=1.6G
MaxVMSize=0G
AveCPUFreq=1.22M
AveDiskRead=1606765362
AveDiskWrite=1323192001

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 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=00:56:04 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T07:01:34 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=gpu:ampere:1(IDX:3)
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 03:58:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 03:58:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 03:59:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 03:59:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:00:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:00:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:01:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:01:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:02:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:02:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:03:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:03:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:04:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:04:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:05:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:05:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:06:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:06:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:07:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:07:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:08:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:08:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:09:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:09:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:10:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:10:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:11:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:11:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:12:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:12:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:13:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:13:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:14:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:14:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:15:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:15:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:16:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:16:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:17:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:17:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:18:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:18:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:19:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:19:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:20:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:20:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:21:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:21:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:22:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:22:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:23:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:23:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:24:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:24:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:25:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:25:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:26:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:26:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:27:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:27:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:28:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:28:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:29:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:29:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:30:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:30:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:31:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:31:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:32:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:32:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:33:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:33:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:34:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:34:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:35:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:35:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:36:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:36:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:37:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:37:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:38:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:38:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:39:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:39:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:40:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:40:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:41:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:41:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:42:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:42:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:43:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:43:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:44:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:44:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:45:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:45:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:46:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:46:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:47:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:47:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:48:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:48:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:49:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:49:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:50:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:50:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:51:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:51:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:52:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:52:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:53:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:53:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:54:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:54:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:55:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:55:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:56:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:56:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:57:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:57:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:58:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:58:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:59:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 04:59:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:00:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:00:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:01:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:01:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:02:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:02:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:03:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:03:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:04:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:04:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:05:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:05:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:06:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:06:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:07:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:07:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:08:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:08:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:09:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:09:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:10:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:10:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:11:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:11:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:12:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:12:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:13:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:13:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:14:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:14:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:15:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:15:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:16:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:16:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:17:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:17:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:18:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:18:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:19:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:19:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:20:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:20:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:21:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:21:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:22:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:22:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:23:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:23:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:24:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:24:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:25:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:25:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:26:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:26:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:27:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:27:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:28:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:28:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:29:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:29:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:30:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:30:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:31:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:31:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:32:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:32:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:33:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:33:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:34:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:34:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:35:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:35:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:36:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:36:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:37:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:37:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:38:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:38:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:39:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:39:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:40:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:40:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:41:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:41:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:42:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:42:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:43:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:43:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:44:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:44:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:45:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:45:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:46:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:46:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:47:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:47:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:48:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:48:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:49:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:49:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:50:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:50:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:51:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:51:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:52:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:52:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:53:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:53:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:54:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:54:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:55:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:55:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:56:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:56:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:57:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:57:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:58:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:58:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:59:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 05:59:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:00:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:00:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:01:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:01:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:02:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:02:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:03:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:03:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:04:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:04:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:05:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:05:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:06:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:06:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:07:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:07:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:08:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:08:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:09:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:09:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:10:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:10:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:11:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:11:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:12:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:12:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:13:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:13:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:14:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:14:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:15:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:15:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:16:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:16:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:17:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:17:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:18:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:18:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:19:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:19:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:20:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:20:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:21:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:21:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:22:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:22:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:23:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:23:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:24:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:24:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:25:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:25:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:26:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:26:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:27:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:27:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:28:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:28:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:29:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:29:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:30:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:30:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:31:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:31:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:32:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:32:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:33:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:33:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:34:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:34:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:35:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:35:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:36:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:36:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:37:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:37:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:38:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:38:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:39:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:39:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:40:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:40:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:41:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:41:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:42:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:42:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:43:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:43:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:44:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:44:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:45:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:45:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:46:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:46:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:47:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:47:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:48:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:48:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:49:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:49:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:50:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:50:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:51:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:51:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:52:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:52:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:53:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:53:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:54:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:54:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:55:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:55:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:56:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:56:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:57:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:57:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:58:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:58:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:59:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 06:59:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:00:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:00:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:01:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:01:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:02:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:02:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:03:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:03:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:04:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:04:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:05:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:05:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:06:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:06:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:07:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:07:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:08:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:08:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:09:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:09:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:10:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:10:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:11:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:11:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:12:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:12:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:13:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:13:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:14:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:14:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:15:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:15:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:16:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:16:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:17:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:17:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:18:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:18:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:19:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:19:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:20:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:20:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:21:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:21:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:22:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:22:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:23:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:23:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:24:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:24:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:25:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:25:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:26:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:26:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:27:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:27:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:28:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:28:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:29:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:29:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:30:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:30:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:31:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:31:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:32:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:32:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:33:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:33:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:34:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:34:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:35:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:35:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:36:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:36:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:37:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:37:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:38:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:38:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:39:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:39:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:40:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:40:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:41:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:41:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:42:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:42:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:43:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:43:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:44:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:44:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:45:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:45:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:46:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:46:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:47:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:47:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:48:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:48:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:49:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:49:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:50:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:50:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:51:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:51:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:52:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:52:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:53:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:53:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:54:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:54:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:55:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:55:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:56:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:56:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:57:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:57:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:58:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:58:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:59:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 07:59:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:00:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:00:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:01:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:01:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:02:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:02:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:03:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:03:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:04:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:04:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:05:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:05:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:06:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:06:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:07:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:07:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:08:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:08:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:09:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:09:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:10:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:10:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:11:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:11:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:12:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:12:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:13:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:13:36 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:14:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:14:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:15:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:15:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:16:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:16:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:17:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:17:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:18:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:18:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:19:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:19:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:20:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:20:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:21:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:21:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:22:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:22:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:23:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:23:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:24:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:24:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:25:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:25:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:26:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:26:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:27:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:27:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:28:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:28:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:29:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:29:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:30:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:30:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:31:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:31:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:32:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:32:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:33:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:33:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:34:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:34:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:35:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:35:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:36:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:36:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:37:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:37:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:38:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:38:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:39:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:39:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:40:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:40:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:41:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:41:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:42:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:42:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:43:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:43:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:44:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:44:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:45:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:45:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:46:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:46:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:47:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:47:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:48:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:48:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:49:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:49:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:50:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:50:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:51:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:51:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:52:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:52:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:53:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:53:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:54:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:54:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:55:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:55:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:56:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:56:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:57:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:57:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:58:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:58:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:59:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 08:59:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:00:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:00:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:01:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:01:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:02:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:02:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:03:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:03:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:04:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:04:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:05:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:05:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:06:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:06:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:07:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:07:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:08:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:08:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:09:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:09:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:10:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:10:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:11:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:11:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:12:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:12:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:13:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:13:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:14:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:14:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:15:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:15:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:16:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:16:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:17:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:17:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:18:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:18:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:19:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:19:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:20:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:20:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:21:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:21:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:22:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:22:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:23:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:23:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:24:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:24:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:25:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:25:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:26:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:26:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:27:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:27:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:28:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:28:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:29:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:29:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:30:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:30:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:31:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:31:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:32:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:32:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:33:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:33:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:34:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:34:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:35:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:35:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:36:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:36:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:37:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:37:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:38:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:38:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:39:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:39:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:40:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:40:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:41:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:41:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:42:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:42:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:43:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:43:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:44:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:44:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:45:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:45:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:46:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:46:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:47:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:47:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:48:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:48:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:49:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:49:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:50:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:50:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:51:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:51:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:52:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:52:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:53:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:53:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:54:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:54:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:55:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:55:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:56:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:56:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:57:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:57:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:58:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:58:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:59:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 09:59:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:00:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:00:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:01:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:01:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:02:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:02:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:03:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:03:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:04:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:04:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:05:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:05:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:06:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:06:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:07:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:07:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:08:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:08:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:09:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:09:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:10:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:10:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:11:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:11:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:12:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:12:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:13:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:13:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:14:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:14:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:15:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:15:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:16:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:16:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:17:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:17:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:18:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:18:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:19:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:19:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:20:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:20:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:21:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:21:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:22:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:22:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:23:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:23:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:24:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:24:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:25:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:25:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:26:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:26:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:27:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:27:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:28:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:28:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:29:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:29:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:30:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:30:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:31:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:31:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:32:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:32:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:33:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:33:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:34:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:34:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:35:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:35:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:36:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:36:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:37:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:37:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:38:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:38:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:39:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:39:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:40:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:40:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:41:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:41:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:42:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:42:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:43:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:43:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:44:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:44:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:45:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:45:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:46:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:46:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:47:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:47:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:48:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:48:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:49:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:49:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:50:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:50:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:51:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:51:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:52:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:52:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:53:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:53:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:54:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:54:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:55:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:55:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:56:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:56:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:57:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:57:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:58:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:58:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:59:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 10:59:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:00:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:00:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:01:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:01:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:02:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:02:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:03:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:03:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:04:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:04:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:05:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:05:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:06:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:06:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:07:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:07:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:08:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:08:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:09:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:09:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:10:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:10:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:11:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:11:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:12:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:12:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:13:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:13:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:14:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:14:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:15:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:15:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:16:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:16:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:17:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:17:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:18:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:18:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:19:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:19:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:20:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:20:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:21:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:21:37 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:22:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:22:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:23:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:23:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:24:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:24:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:25:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:25:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:26:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:26:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:27:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:27:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:28:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:28:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:29:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:29:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:30:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:30:41 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:31:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:31:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:32:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:32:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:33:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:33:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:34:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:34:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:35:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:35:41 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:36:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:36:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:37:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:37:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:38:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:38:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:39:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:39:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:40:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:40:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:41:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:41:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:42:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:42:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:43:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:43:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:44:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:44:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:45:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:45:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:46:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:46:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:47:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:47:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:48:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:48:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:49:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:49:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:50:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:50:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:51:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:51:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:52:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:52:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:53:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:53:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:54:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:54:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:55:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:55:41 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:56:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:56:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:57:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:57:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:58:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:58:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:59:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 11:59:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:00:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:00:42 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:01:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:01:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:02:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:02:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:03:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:03:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:04:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:04:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:05:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:05:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:06:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:06:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:07:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:07:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:08:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:08:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:09:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:09:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:10:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:10:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:11:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:11:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:12:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:12:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:13:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:13:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:14:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:14:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:15:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:15:41 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:16:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:16:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:17:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:17:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:18:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:18:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:19:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:19:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:20:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:20:41 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:21:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:21:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:22:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:22:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:23:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:23:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:24:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:24:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:25:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:25:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:26:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:26:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:27:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:27:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:28:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:28:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:29:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:29:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:30:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:30:41 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:31:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:31:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:32:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:32:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:33:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:33:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:34:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:34:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:35:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:35:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:36:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:36:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:37:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:37:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:38:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:38:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:39:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:39:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:40:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:40:41 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:41:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:41:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:42:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:42:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:43:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:43:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:44:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:44:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:45:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:45:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:46:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:46:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:47:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:47:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:48:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:48:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:49:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:49:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:50:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:50:41 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:51:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:51:38 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:52:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:52:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:53:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:53:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:54:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:54:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:55:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:55:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:56:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:56:39 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:57:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:57:40 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1417985

captured Thu Oct 8 12:58:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=8187 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:56:25 TimeLimit=04:00:00 TimeMin=N/A
   SubmitTime=2026-10-07T13:11:20 EligibleTime=2026-10-07T13:11:21
   AccrueTime=2026-10-07T13:11:21
   StartTime=2026-10-08T03:01:34 EndTime=2026-10-08T03:57:59 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-08T03:01:34 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2279595
   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=24G,node=1,billing=7,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=24G,node=1,billing=7,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=13-16 Mem=24576 GRES=
   MinCPUsNode=4 MinMemoryNode=24G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/jobs/gpu_train.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_performance_finetuning_v1/logs/pft_a100_train_1417985_2.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4