JOB DETAILS FOR JOB 1624841

captured Fri Nov 13 10:09:40 SAST 2026

MaxRAM=3.5G
MaxVMSize=0G
AveCPUFreq=444K
AveDiskRead=57805664138
AveDiskWrite=148575456373

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7775 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=01:01:34 TimeLimit=04:30:00 TimeMin=N/A
   SubmitTime=2026-11-13T09:08:05 EligibleTime=2026-11-13T09:08:05
   AccrueTime=2026-11-13T09:08:06
   StartTime=2026-11-13T09:08:06 EndTime=2026-11-13T13:38:06 Deadline=2026-11-15T03:11:45
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-11-13T09:08:06 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2592221
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=40G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=40G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=5-6,33-34 Mem=40960 GRES=gpu:ampere:1(IDX:3)
   MinCPUsNode=5 MinMemoryNode=40G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/dispatch_draft/science_bundle.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4
   StdErr=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/cc_bundle_s2_1624841.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/cc_bundle_s2_1624841.out
   Power=
   KillOInInvalidDependent=Yes
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1624841

captured Fri Nov 13 10:10:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7775 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=01:01:53 TimeLimit=04:30:00 TimeMin=N/A
   SubmitTime=2026-11-13T09:08:05 EligibleTime=2026-11-13T09:08:05
   AccrueTime=2026-11-13T09:08:06
   StartTime=2026-11-13T09:08:06 EndTime=2026-11-13T10:09:59 Deadline=2026-11-15T03:11:45
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-11-13T09:08:06 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2592221
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=40G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=40G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=5-6,33-34 Mem=40960 GRES=
   MinCPUsNode=5 MinMemoryNode=40G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/dispatch_draft/science_bundle.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4
   StdErr=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/cc_bundle_s2_1624841.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/cc_bundle_s2_1624841.out
   Power=
   KillOInInvalidDependent=Yes
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1624841

captured Fri Nov 13 10:10:45 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7775 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=01:01:53 TimeLimit=04:30:00 TimeMin=N/A
   SubmitTime=2026-11-13T09:08:05 EligibleTime=2026-11-13T09:08:05
   AccrueTime=2026-11-13T09:08:06
   StartTime=2026-11-13T09:08:06 EndTime=2026-11-13T10:09:59 Deadline=2026-11-15T03:11:45
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-11-13T09:08:06 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2592221
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=40G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=40G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=5-6,33-34 Mem=40960 GRES=
   MinCPUsNode=5 MinMemoryNode=40G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/dispatch_draft/science_bundle.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4
   StdErr=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/cc_bundle_s2_1624841.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/cc_bundle_s2_1624841.out
   Power=
   KillOInInvalidDependent=Yes
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1624841

captured Fri Nov 13 10:11:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7775 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=01:01:53 TimeLimit=04:30:00 TimeMin=N/A
   SubmitTime=2026-11-13T09:08:05 EligibleTime=2026-11-13T09:08:05
   AccrueTime=2026-11-13T09:08:06
   StartTime=2026-11-13T09:08:06 EndTime=2026-11-13T10:09:59 Deadline=2026-11-15T03:11:45
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-11-13T09:08:06 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2592221
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=40G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=40G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=5-6,33-34 Mem=40960 GRES=
   MinCPUsNode=5 MinMemoryNode=40G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/dispatch_draft/science_bundle.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4
   StdErr=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/cc_bundle_s2_1624841.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/cc_bundle_s2_1624841.out
   Power=
   KillOInInvalidDependent=Yes
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1624841

captured Fri Nov 13 10:11:43 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7775 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=01:01:53 TimeLimit=04:30:00 TimeMin=N/A
   SubmitTime=2026-11-13T09:08:05 EligibleTime=2026-11-13T09:08:05
   AccrueTime=2026-11-13T09:08:06
   StartTime=2026-11-13T09:08:06 EndTime=2026-11-13T10:09:59 Deadline=2026-11-15T03:11:45
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-11-13T09:08:06 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2592221
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=40G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=40G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=5-6,33-34 Mem=40960 GRES=
   MinCPUsNode=5 MinMemoryNode=40G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/dispatch_draft/science_bundle.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4
   StdErr=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/cc_bundle_s2_1624841.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/cc_bundle_s2_1624841.out
   Power=
   KillOInInvalidDependent=Yes
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1624841

captured Fri Nov 13 10:12:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7775 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=01:01:53 TimeLimit=04:30:00 TimeMin=N/A
   SubmitTime=2026-11-13T09:08:05 EligibleTime=2026-11-13T09:08:05
   AccrueTime=2026-11-13T09:08:06
   StartTime=2026-11-13T09:08:06 EndTime=2026-11-13T10:09:59 Deadline=2026-11-15T03:11:45
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-11-13T09:08:06 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:2592221
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=40G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=40G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:ampere:1
     Nodes=srvrocgpu010 CPU_IDs=5-6,33-34 Mem=40960 GRES=
   MinCPUsNode=5 MinMemoryNode=40G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/dispatch_draft/science_bundle.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4
   StdErr=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/cc_bundle_s2_1624841.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_scage_benchmark_v1/strong_backbone_integration_v1/parallel_exploration_v1/conformer_consistency_pilot_v4/cc_bundle_s2_1624841.out
   Power=
   KillOInInvalidDependent=Yes
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4