JOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:17:34 SAST 2026

MaxRAM=1.4G
MaxVMSize=0G
AveCPUFreq=800K
AveDiskRead=2101528236
AveDiskWrite=1111475320

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 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=00:23:29 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T22:54:05 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=gpu:ampere:1(IDX:2)
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:18:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:18:33 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:19:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:19:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:20:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:20:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:21:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:21:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:22:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:22:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:23:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:23:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:24:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:24:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:25:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:25:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:26:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:26:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:27:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:27:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:28:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:28:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:29:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:29:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:30:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:30:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:31:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:31:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:32:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:32:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:33:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:33:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:34:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:34:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:35:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:35:35 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:36:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:36:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:37:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:37:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:38:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:38:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:39:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:39:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:40:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:40:35 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:41:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:41:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:42:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:42:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:43:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:43:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:44:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:44:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:45:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:45:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:46:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:46:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:47:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:47:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:48:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:48:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:49:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:49:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:50:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:50:35 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:51:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:51:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:52:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:52:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:53:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:53:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:54:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:54:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:55:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:55:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:56:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:56:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:57:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:57:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:58:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:58:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:59:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 15:59:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:00:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:00:35 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:01:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:01:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:02:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:02:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:03:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:03:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:04:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:04:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:05:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:05:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:06:02 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:06:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:07:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:07:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:08:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:08:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:09:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:09:33 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:10:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:10:35 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:11:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:11:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:12:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:12:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:13:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:13:33 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:14:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:14:34 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4
UCT HPC clusterJOB DETAILS FOR JOB 1541139

captured Wed Oct 28 16:15:01 SAST 2026

bxxjin001(465013408 Jinming Bai) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7709 Nice=0 Account=a100free QOS=a100free
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:23:43 TimeLimit=08:00:00 TimeMin=N/A
   SubmitTime=2026-10-28T14:52:51 EligibleTime=2026-10-28T14:54:04
   AccrueTime=2026-10-28T14:54:04
   StartTime=2026-10-28T14:54:05 EndTime=2026-10-28T15:17:48 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-10-28T14:54:05 Scheduler=Main
   Partition=a100 AllocNode:Sid=srvrochpc001:793585
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu010
   BatchHost=srvrocgpu010
   NumNodes=1 NumCPUs=4 NumTasks=1 CPUs/Task=4 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=48G,node=1,billing=9,gres/gpu=1,gres/gpu:ampere=1
   AllocTRES=cpu=4,mem=48G,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=8-11 Mem=49152 GRES=
   MinCPUsNode=6 MinMemoryNode=48G MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/jobs/CONVERGENCE_A100_V6.sbatch
   WorkDir=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1
   StdErr=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.err
   StdIn=/dev/null
   StdOut=/scratch/bxxjin001/ORION/molecular_dc_full_mechanism_v1/logs/fm_conv_A100_v6_1541139.out
   Power=
   TresPerNode=gres/gpu:ampere:1
   TresPerTask=cpu:4