JOB DETAILS FOR JOB 1610841

captured Mon Nov 9 01:52:01 SAST 2026

MaxRAM=2.7G
MaxVMSize=0G
AveCPUFreq=1.20M
AveDiskRead=4212548317
AveDiskWrite=12663014235

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7845 Nice=0 Account=a100free QOS=a100free
   JobState=RUNNING Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:08:23 TimeLimit=02:00:00 TimeMin=N/A
   SubmitTime=2026-11-08T23:36:18 EligibleTime=2026-11-08T23:36:18
   AccrueTime=2026-11-08T23:36:20
   StartTime=2026-11-09T01:43:38 EndTime=2026-11-09T03:43:38 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-11-09T01:43:38 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc102:2916317
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=32G,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=32G,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=2-3,8-9 Mem=32768 GRES=gpu:ampere:1(IDX:1)
   MinCPUsNode=4 MinMemoryNode=32G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2/jobs/gpu.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2
   StdErr=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2/logs/cheme_tune2_gpu_1610839_0.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2/logs/cheme_tune2_gpu_1610839_0.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1610841

captured Mon Nov 9 01:52:51 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7845 Nice=0 Account=a100free QOS=a100free
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=1:0
   DerivedExitCode=0:0
   RunTime=00:08:34 TimeLimit=02:00:00 TimeMin=N/A
   SubmitTime=2026-11-08T23:36:18 EligibleTime=2026-11-08T23:36:18
   AccrueTime=2026-11-08T23:36:20
   StartTime=2026-11-09T01:43:38 EndTime=2026-11-09T01:52:12 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-11-09T01:43:38 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc102:2916317
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=32G,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=32G,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=2-3,8-9 Mem=32768 GRES=
   MinCPUsNode=4 MinMemoryNode=32G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2/jobs/gpu.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2
   StdErr=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2/logs/cheme_tune2_gpu_1610839_0.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2/logs/cheme_tune2_gpu_1610839_0.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1610841

captured Mon Nov 9 01:53:31 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7845 Nice=0 Account=a100free QOS=a100free
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=1:0
   DerivedExitCode=0:0
   RunTime=00:08:34 TimeLimit=02:00:00 TimeMin=N/A
   SubmitTime=2026-11-08T23:36:18 EligibleTime=2026-11-08T23:36:18
   AccrueTime=2026-11-08T23:36:20
   StartTime=2026-11-09T01:43:38 EndTime=2026-11-09T01:52:12 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-11-09T01:43:38 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc102:2916317
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=32G,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=32G,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=2-3,8-9 Mem=32768 GRES=
   MinCPUsNode=4 MinMemoryNode=32G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2/jobs/gpu.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2
   StdErr=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2/logs/cheme_tune2_gpu_1610839_0.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2/logs/cheme_tune2_gpu_1610839_0.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1610841

captured Mon Nov 9 01:54:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7845 Nice=0 Account=a100free QOS=a100free
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=1:0
   DerivedExitCode=0:0
   RunTime=00:08:34 TimeLimit=02:00:00 TimeMin=N/A
   SubmitTime=2026-11-08T23:36:18 EligibleTime=2026-11-08T23:36:18
   AccrueTime=2026-11-08T23:36:20
   StartTime=2026-11-09T01:43:38 EndTime=2026-11-09T01:52:12 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-11-09T01:43:38 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc102:2916317
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=32G,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=32G,node=1,billing=8,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=2-3,8-9 Mem=32768 GRES=
   MinCPUsNode=4 MinMemoryNode=32G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2/jobs/gpu.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2
   StdErr=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2/logs/cheme_tune2_gpu_1610839_0.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/chemeleon_tuning_v2/logs/cheme_tune2_gpu_1610839_0.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4