UCT HPC cluster

JOB DETAILS FOR JOB 430508

captured Tue Jan 13 12:26:41 SAST 2026

MaxRAM=0G
MaxVMSize=0G
AveCPUFreq=
AveDiskRead=
AveDiskWrite=

mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7070 Nice=0 Account=chemistry QOS=normal
   JobState=RUNNING Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:9
   RunTime=00:00:06 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2026-01-13T12:25:41 EligibleTime=2026-01-13T12:25:41
   AccrueTime=2026-01-13T12:25:41
   StartTime=2026-01-13T12:26:35 EndTime=2026-01-16T12:26:35 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-01-13T12:26:35 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:132854
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc123
   BatchHost=srvrochpc123
   NumNodes=1 NumCPUs=40 NumTasks=40 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=40,mem=312.50G,node=1,billing=71
   AllocTRES=cpu=40,mem=312.50G,node=1,billing=71
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc123 CPU_IDs=0-19,24-43 Mem=320000 GRES=
   MinCPUsNode=1 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/mnxcar010/script_apo.sh
   WorkDir=/home/mnxcar010
   StdErr=/home/mnxcar010/gmx_test_error.txt
   StdIn=/dev/null
   StdOut=/home/mnxcar010/gmx_test_output.txt
   Power=
   MailUser=mnxcar010@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT

UCT HPC clusterJOB DETAILS FOR JOB 430508

captured Tue Jan 13 12:27:01 SAST 2026

mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7070 Nice=0 Account=chemistry QOS=normal
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=1:0
   DerivedExitCode=0:9
   RunTime=00:00:06 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2026-01-13T12:25:41 EligibleTime=2026-01-13T12:25:41
   AccrueTime=2026-01-13T12:25:41
   StartTime=2026-01-13T12:26:35 EndTime=2026-01-13T12:26:41 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-01-13T12:26:35 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:132854
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc123
   BatchHost=srvrochpc123
   NumNodes=1 NumCPUs=40 NumTasks=40 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=40,mem=312.50G,node=1,billing=71
   AllocTRES=cpu=40,mem=312.50G,node=1,billing=71
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc123 CPU_IDs=0-19,24-43 Mem=320000 GRES=
   MinCPUsNode=1 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/mnxcar010/script_apo.sh
   WorkDir=/home/mnxcar010
   StdErr=/home/mnxcar010/gmx_test_error.txt
   StdIn=/dev/null
   StdOut=/home/mnxcar010/gmx_test_output.txt
   Power=
   MailUser=mnxcar010@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT

UCT HPC clusterJOB DETAILS FOR JOB 430508

captured Tue Jan 13 12:27:40 SAST 2026

mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7070 Nice=0 Account=chemistry QOS=normal
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=1:0
   DerivedExitCode=0:9
   RunTime=00:00:06 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2026-01-13T12:25:41 EligibleTime=2026-01-13T12:25:41
   AccrueTime=2026-01-13T12:25:41
   StartTime=2026-01-13T12:26:35 EndTime=2026-01-13T12:26:41 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-01-13T12:26:35 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:132854
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc123
   BatchHost=srvrochpc123
   NumNodes=1 NumCPUs=40 NumTasks=40 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=40,mem=312.50G,node=1,billing=71
   AllocTRES=cpu=40,mem=312.50G,node=1,billing=71
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc123 CPU_IDs=0-19,24-43 Mem=320000 GRES=
   MinCPUsNode=1 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/mnxcar010/script_apo.sh
   WorkDir=/home/mnxcar010
   StdErr=/home/mnxcar010/gmx_test_error.txt
   StdIn=/dev/null
   StdOut=/home/mnxcar010/gmx_test_output.txt
   Power=
   MailUser=mnxcar010@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT

UCT HPC clusterJOB DETAILS FOR JOB 430508

captured Tue Jan 13 12:28:02 SAST 2026

mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7070 Nice=0 Account=chemistry QOS=normal
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=1:0
   DerivedExitCode=0:9
   RunTime=00:00:06 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2026-01-13T12:25:41 EligibleTime=2026-01-13T12:25:41
   AccrueTime=2026-01-13T12:25:41
   StartTime=2026-01-13T12:26:35 EndTime=2026-01-13T12:26:41 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-01-13T12:26:35 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:132854
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc123
   BatchHost=srvrochpc123
   NumNodes=1 NumCPUs=40 NumTasks=40 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=40,mem=312.50G,node=1,billing=71
   AllocTRES=cpu=40,mem=312.50G,node=1,billing=71
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc123 CPU_IDs=0-19,24-43 Mem=320000 GRES=
   MinCPUsNode=1 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/mnxcar010/script_apo.sh
   WorkDir=/home/mnxcar010
   StdErr=/home/mnxcar010/gmx_test_error.txt
   StdIn=/dev/null
   StdOut=/home/mnxcar010/gmx_test_output.txt
   Power=
   MailUser=mnxcar010@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT

UCT HPC clusterJOB DETAILS FOR JOB 430508

captured Tue Jan 13 12:28:41 SAST 2026

mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7070 Nice=0 Account=chemistry QOS=normal
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=1:0
   DerivedExitCode=0:9
   RunTime=00:00:06 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2026-01-13T12:25:41 EligibleTime=2026-01-13T12:25:41
   AccrueTime=2026-01-13T12:25:41
   StartTime=2026-01-13T12:26:35 EndTime=2026-01-13T12:26:41 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-01-13T12:26:35 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:132854
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc123
   BatchHost=srvrochpc123
   NumNodes=1 NumCPUs=40 NumTasks=40 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=40,mem=312.50G,node=1,billing=71
   AllocTRES=cpu=40,mem=312.50G,node=1,billing=71
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc123 CPU_IDs=0-19,24-43 Mem=320000 GRES=
   MinCPUsNode=1 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/mnxcar010/script_apo.sh
   WorkDir=/home/mnxcar010
   StdErr=/home/mnxcar010/gmx_test_error.txt
   StdIn=/dev/null
   StdOut=/home/mnxcar010/gmx_test_output.txt
   Power=
   MailUser=mnxcar010@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT

UCT HPC clusterJOB DETAILS FOR JOB 430508

captured Tue Jan 13 12:29:01 SAST 2026

mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7070 Nice=0 Account=chemistry QOS=normal
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=1:0
   DerivedExitCode=0:9
   RunTime=00:00:06 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2026-01-13T12:25:41 EligibleTime=2026-01-13T12:25:41
   AccrueTime=2026-01-13T12:25:41
   StartTime=2026-01-13T12:26:35 EndTime=2026-01-13T12:26:41 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-01-13T12:26:35 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:132854
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc123
   BatchHost=srvrochpc123
   NumNodes=1 NumCPUs=40 NumTasks=40 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=40,mem=312.50G,node=1,billing=71
   AllocTRES=cpu=40,mem=312.50G,node=1,billing=71
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc123 CPU_IDs=0-19,24-43 Mem=320000 GRES=
   MinCPUsNode=1 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/mnxcar010/script_apo.sh
   WorkDir=/home/mnxcar010
   StdErr=/home/mnxcar010/gmx_test_error.txt
   StdIn=/dev/null
   StdOut=/home/mnxcar010/gmx_test_output.txt
   Power=
   MailUser=mnxcar010@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT