JOB DETAILS FOR JOB 236926

captured Sun Aug 24 17:27:01 SAST 2025

MaxRAM=3G
MaxVMSize=0G
AveCPUFreq=11.80K
AveDiskRead=51052466
AveDiskWrite=137432016

JobId=236926 JobName=Gromacs_37
   UserId=mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6890 Nice=0 Account=chemistry QOS=normal
   JobState=RUNNING Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-00:00:09 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-21T17:26:51 EligibleTime=2025-08-21T17:26:51
   AccrueTime=2025-08-21T17:26:51
   StartTime=2025-08-21T17:26:52 EndTime=2025-08-24T17:26:52 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-21T17:26:52 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:4115859
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc218
   BatchHost=srvrochpc218
   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=srvrochpc218 CPU_IDs=0-39 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/myscript.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 236926

captured Sun Aug 24 17:27:35 SAST 2025

JobId=236926 JobName=Gromacs_37
   UserId=mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6890 Nice=0 Account=chemistry QOS=normal
   JobState=TIMEOUT Reason=TimeLimit Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:15
   DerivedExitCode=2:0
   RunTime=3-00:00:16 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-21T17:26:51 EligibleTime=2025-08-21T17:26:51
   AccrueTime=2025-08-21T17:26:51
   StartTime=2025-08-21T17:26:52 EndTime=2025-08-24T17:27:08 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-21T17:26:52 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:4115859
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc218
   BatchHost=srvrochpc218
   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=srvrochpc218 CPU_IDs=0-39 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/myscript.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 236926

captured Sun Aug 24 17:28:01 SAST 2025

JobId=236926 JobName=Gromacs_37
   UserId=mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6890 Nice=0 Account=chemistry QOS=normal
   JobState=TIMEOUT Reason=TimeLimit Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:15
   DerivedExitCode=2:0
   RunTime=3-00:00:16 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-21T17:26:51 EligibleTime=2025-08-21T17:26:51
   AccrueTime=2025-08-21T17:26:51
   StartTime=2025-08-21T17:26:52 EndTime=2025-08-24T17:27:08 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-21T17:26:52 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:4115859
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc218
   BatchHost=srvrochpc218
   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=srvrochpc218 CPU_IDs=0-39 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/myscript.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 236926

captured Sun Aug 24 17:28:36 SAST 2025

JobId=236926 JobName=Gromacs_37
   UserId=mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6890 Nice=0 Account=chemistry QOS=normal
   JobState=TIMEOUT Reason=TimeLimit Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:15
   DerivedExitCode=2:0
   RunTime=3-00:00:16 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-21T17:26:51 EligibleTime=2025-08-21T17:26:51
   AccrueTime=2025-08-21T17:26:51
   StartTime=2025-08-21T17:26:52 EndTime=2025-08-24T17:27:08 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-21T17:26:52 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:4115859
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc218
   BatchHost=srvrochpc218
   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=srvrochpc218 CPU_IDs=0-39 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/myscript.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 236926

captured Sun Aug 24 17:29:02 SAST 2025

JobId=236926 JobName=Gromacs_37
   UserId=mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6890 Nice=0 Account=chemistry QOS=normal
   JobState=TIMEOUT Reason=TimeLimit Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:15
   DerivedExitCode=2:0
   RunTime=3-00:00:16 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-21T17:26:51 EligibleTime=2025-08-21T17:26:51
   AccrueTime=2025-08-21T17:26:51
   StartTime=2025-08-21T17:26:52 EndTime=2025-08-24T17:27:08 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-21T17:26:52 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:4115859
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc218
   BatchHost=srvrochpc218
   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=srvrochpc218 CPU_IDs=0-39 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/myscript.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