JOB DETAILS FOR JOB 242188

captured Mon Aug 25 09:36:37 SAST 2025

MaxRAM=3.2G
MaxVMSize=0G
AveCPUFreq=44.42K
AveDiskRead=18891253
AveDiskWrite=103878138

JobId=242188 JobName=rpob_45_apo
   UserId=mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6888 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=1-02:20:54 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-24T07:15:42 EligibleTime=2025-08-24T07:15:42
   AccrueTime=2025-08-24T07:15:42
   StartTime=2025-08-24T07:15:43 EndTime=2025-08-27T07:15:43 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-24T07:15:43 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:231848
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc125
   BatchHost=srvrochpc125
   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=srvrochpc125 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 242188

captured Mon Aug 25 09:37:02 SAST 2025

JobId=242188 JobName=rpob_45_apo
   UserId=mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6888 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-02:21:08 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-24T07:15:42 EligibleTime=2025-08-24T07:15:42
   AccrueTime=2025-08-24T07:15:42
   StartTime=2025-08-24T07:15:43 EndTime=2025-08-25T09:36:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-24T07:15:43 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:231848
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc125
   BatchHost=srvrochpc125
   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=srvrochpc125 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 242188

captured Mon Aug 25 09:37:38 SAST 2025

JobId=242188 JobName=rpob_45_apo
   UserId=mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6888 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-02:21:08 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-24T07:15:42 EligibleTime=2025-08-24T07:15:42
   AccrueTime=2025-08-24T07:15:42
   StartTime=2025-08-24T07:15:43 EndTime=2025-08-25T09:36:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-24T07:15:43 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:231848
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc125
   BatchHost=srvrochpc125
   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=srvrochpc125 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 242188

captured Mon Aug 25 09:38:01 SAST 2025

JobId=242188 JobName=rpob_45_apo
   UserId=mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6888 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-02:21:08 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-24T07:15:42 EligibleTime=2025-08-24T07:15:42
   AccrueTime=2025-08-24T07:15:42
   StartTime=2025-08-24T07:15:43 EndTime=2025-08-25T09:36:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-24T07:15:43 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:231848
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc125
   BatchHost=srvrochpc125
   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=srvrochpc125 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 242188

captured Mon Aug 25 09:38:38 SAST 2025

JobId=242188 JobName=rpob_45_apo
   UserId=mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6888 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-02:21:08 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-24T07:15:42 EligibleTime=2025-08-24T07:15:42
   AccrueTime=2025-08-24T07:15:42
   StartTime=2025-08-24T07:15:43 EndTime=2025-08-25T09:36:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-24T07:15:43 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:231848
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc125
   BatchHost=srvrochpc125
   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=srvrochpc125 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 242188

captured Mon Aug 25 09:39:02 SAST 2025

JobId=242188 JobName=rpob_45_apo
   UserId=mnxcar010(291290927 Carol Maina) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6888 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=1-02:21:08 TimeLimit=3-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-24T07:15:42 EligibleTime=2025-08-24T07:15:42
   AccrueTime=2025-08-24T07:15:42
   StartTime=2025-08-24T07:15:43 EndTime=2025-08-25T09:36:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-24T07:15:43 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:231848
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc125
   BatchHost=srvrochpc125
   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=srvrochpc125 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