JOB DETAILS FOR JOB 604113

captured Tue Mar 17 18:47:01 SAST 2026

MaxRAM=4.5G
MaxVMSize=0G
AveCPUFreq=3K
AveDiskRead=308468858536
AveDiskWrite=172758466496

vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6953 Nice=0 Account=chemistry QOS=normal
   JobState=RUNNING Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=09:07:23 TimeLimit=10-10:00:00 TimeMin=N/A
   SubmitTime=2026-03-17T09:39:22 EligibleTime=2026-03-17T09:39:22
   AccrueTime=2026-03-17T09:39:22
   StartTime=2026-03-17T09:39:38 EndTime=2026-03-27T19:39:38 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-03-17T09:39:38 Scheduler=Backfill
   Partition=ada AllocNode:Sid=srvrochpc001:1797897
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc110
   BatchHost=srvrochpc110
   NumNodes=1 NumCPUs=16 NumTasks=1 CPUs/Task=16 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=16,mem=125G,node=1,billing=28
   AllocTRES=cpu=16,mem=125G,node=1,billing=28
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc110 CPU_IDs=2,6-7,9-17,20-23 Mem=128000 GRES=
   MinCPUsNode=16 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/vhrdew002/gaussian16.sh
   WorkDir=/scratch/vhrdew002
   StdErr=/scratch/vhrdew002/slurm-604113.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-604113.out
   Power=
   TresPerTask=cpu:16
   MailUser=dewald.vanheerden@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
   

UCT HPC clusterJOB DETAILS FOR JOB 604113

captured Tue Mar 17 18:47:38 SAST 2026

vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6953 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=09:07:47 TimeLimit=10-10:00:00 TimeMin=N/A
   SubmitTime=2026-03-17T09:39:22 EligibleTime=2026-03-17T09:39:22
   AccrueTime=2026-03-17T09:39:22
   StartTime=2026-03-17T09:39:38 EndTime=2026-03-17T18:47:25 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-03-17T09:39:38 Scheduler=Backfill
   Partition=ada AllocNode:Sid=srvrochpc001:1797897
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc110
   BatchHost=srvrochpc110
   NumNodes=1 NumCPUs=16 NumTasks=1 CPUs/Task=16 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=16,mem=125G,node=1,billing=28
   AllocTRES=cpu=16,mem=125G,node=1,billing=28
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc110 CPU_IDs=2,6-7,9-17,20-23 Mem=128000 GRES=
   MinCPUsNode=16 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/vhrdew002/gaussian16.sh
   WorkDir=/scratch/vhrdew002
   StdErr=/scratch/vhrdew002/slurm-604113.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-604113.out
   Power=
   TresPerTask=cpu:16
   MailUser=dewald.vanheerden@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
   

UCT HPC clusterJOB DETAILS FOR JOB 604113

captured Tue Mar 17 18:48:01 SAST 2026

vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6953 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=09:07:47 TimeLimit=10-10:00:00 TimeMin=N/A
   SubmitTime=2026-03-17T09:39:22 EligibleTime=2026-03-17T09:39:22
   AccrueTime=2026-03-17T09:39:22
   StartTime=2026-03-17T09:39:38 EndTime=2026-03-17T18:47:25 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-03-17T09:39:38 Scheduler=Backfill
   Partition=ada AllocNode:Sid=srvrochpc001:1797897
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc110
   BatchHost=srvrochpc110
   NumNodes=1 NumCPUs=16 NumTasks=1 CPUs/Task=16 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=16,mem=125G,node=1,billing=28
   AllocTRES=cpu=16,mem=125G,node=1,billing=28
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc110 CPU_IDs=2,6-7,9-17,20-23 Mem=128000 GRES=
   MinCPUsNode=16 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/vhrdew002/gaussian16.sh
   WorkDir=/scratch/vhrdew002
   StdErr=/scratch/vhrdew002/slurm-604113.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-604113.out
   Power=
   TresPerTask=cpu:16
   MailUser=dewald.vanheerden@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
   

UCT HPC clusterJOB DETAILS FOR JOB 604113

captured Tue Mar 17 18:48:38 SAST 2026

vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6953 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=09:07:47 TimeLimit=10-10:00:00 TimeMin=N/A
   SubmitTime=2026-03-17T09:39:22 EligibleTime=2026-03-17T09:39:22
   AccrueTime=2026-03-17T09:39:22
   StartTime=2026-03-17T09:39:38 EndTime=2026-03-17T18:47:25 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-03-17T09:39:38 Scheduler=Backfill
   Partition=ada AllocNode:Sid=srvrochpc001:1797897
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc110
   BatchHost=srvrochpc110
   NumNodes=1 NumCPUs=16 NumTasks=1 CPUs/Task=16 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=16,mem=125G,node=1,billing=28
   AllocTRES=cpu=16,mem=125G,node=1,billing=28
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc110 CPU_IDs=2,6-7,9-17,20-23 Mem=128000 GRES=
   MinCPUsNode=16 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/vhrdew002/gaussian16.sh
   WorkDir=/scratch/vhrdew002
   StdErr=/scratch/vhrdew002/slurm-604113.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-604113.out
   Power=
   TresPerTask=cpu:16
   MailUser=dewald.vanheerden@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
   

UCT HPC clusterJOB DETAILS FOR JOB 604113

captured Tue Mar 17 18:49:01 SAST 2026

vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6953 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=09:07:47 TimeLimit=10-10:00:00 TimeMin=N/A
   SubmitTime=2026-03-17T09:39:22 EligibleTime=2026-03-17T09:39:22
   AccrueTime=2026-03-17T09:39:22
   StartTime=2026-03-17T09:39:38 EndTime=2026-03-17T18:47:25 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-03-17T09:39:38 Scheduler=Backfill
   Partition=ada AllocNode:Sid=srvrochpc001:1797897
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc110
   BatchHost=srvrochpc110
   NumNodes=1 NumCPUs=16 NumTasks=1 CPUs/Task=16 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=16,mem=125G,node=1,billing=28
   AllocTRES=cpu=16,mem=125G,node=1,billing=28
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc110 CPU_IDs=2,6-7,9-17,20-23 Mem=128000 GRES=
   MinCPUsNode=16 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/vhrdew002/gaussian16.sh
   WorkDir=/scratch/vhrdew002
   StdErr=/scratch/vhrdew002/slurm-604113.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-604113.out
   Power=
   TresPerTask=cpu:16
   MailUser=dewald.vanheerden@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
   

UCT HPC clusterJOB DETAILS FOR JOB 604113

captured Tue Mar 17 18:49:38 SAST 2026

vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6953 Nice=0 Account=chemistry QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=09:07:47 TimeLimit=10-10:00:00 TimeMin=N/A
   SubmitTime=2026-03-17T09:39:22 EligibleTime=2026-03-17T09:39:22
   AccrueTime=2026-03-17T09:39:22
   StartTime=2026-03-17T09:39:38 EndTime=2026-03-17T18:47:25 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2026-03-17T09:39:38 Scheduler=Backfill
   Partition=ada AllocNode:Sid=srvrochpc001:1797897
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc110
   BatchHost=srvrochpc110
   NumNodes=1 NumCPUs=16 NumTasks=1 CPUs/Task=16 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=16,mem=125G,node=1,billing=28
   AllocTRES=cpu=16,mem=125G,node=1,billing=28
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc110 CPU_IDs=2,6-7,9-17,20-23 Mem=128000 GRES=
   MinCPUsNode=16 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/scratch/vhrdew002/gaussian16.sh
   WorkDir=/scratch/vhrdew002
   StdErr=/scratch/vhrdew002/slurm-604113.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-604113.out
   Power=
   TresPerTask=cpu:16
   MailUser=dewald.vanheerden@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT