JOB DETAILS FOR JOB 322613

captured Thu Oct 30 21:47:33 SAST 2025

MaxRAM=30.1G
MaxVMSize=0G
AveCPUFreq=57K
AveDiskRead=69297158236+
AveDiskWrite=46464825787+

JobId=322613 JobName=S2_S2
   UserId=vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6686 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=3-09:25:16 TimeLimit=10-10:00:00 TimeMin=N/A
   SubmitTime=2025-10-27T12:22:16 EligibleTime=2025-10-27T12:22:16
   AccrueTime=2025-10-27T12:22:16
   StartTime=2025-10-27T12:22:17 EndTime=2025-11-06T22:22:17 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-27T12:22:17 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:1276323
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc103
   BatchHost=srvrochpc103
   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=srvrochpc103 CPU_IDs=24-39 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-322613.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-322613.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 322613

captured Thu Oct 30 21:48:01 SAST 2025

JobId=322613 JobName=S2_S2
   UserId=vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6686 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=3-09:25:24 TimeLimit=10-10:00:00 TimeMin=N/A
   SubmitTime=2025-10-27T12:22:16 EligibleTime=2025-10-27T12:22:16
   AccrueTime=2025-10-27T12:22:16
   StartTime=2025-10-27T12:22:17 EndTime=2025-10-30T21:47:41 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-27T12:22:17 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:1276323
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc103
   BatchHost=srvrochpc103
   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=srvrochpc103 CPU_IDs=24-39 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-322613.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-322613.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 322613

captured Thu Oct 30 21:48:33 SAST 2025

JobId=322613 JobName=S2_S2
   UserId=vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6686 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=3-09:25:24 TimeLimit=10-10:00:00 TimeMin=N/A
   SubmitTime=2025-10-27T12:22:16 EligibleTime=2025-10-27T12:22:16
   AccrueTime=2025-10-27T12:22:16
   StartTime=2025-10-27T12:22:17 EndTime=2025-10-30T21:47:41 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-27T12:22:17 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:1276323
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc103
   BatchHost=srvrochpc103
   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=srvrochpc103 CPU_IDs=24-39 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-322613.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-322613.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 322613

captured Thu Oct 30 21:49:01 SAST 2025

JobId=322613 JobName=S2_S2
   UserId=vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6686 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=3-09:25:24 TimeLimit=10-10:00:00 TimeMin=N/A
   SubmitTime=2025-10-27T12:22:16 EligibleTime=2025-10-27T12:22:16
   AccrueTime=2025-10-27T12:22:16
   StartTime=2025-10-27T12:22:17 EndTime=2025-10-30T21:47:41 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-27T12:22:17 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:1276323
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc103
   BatchHost=srvrochpc103
   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=srvrochpc103 CPU_IDs=24-39 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-322613.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-322613.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 322613

captured Thu Oct 30 21:49:33 SAST 2025

JobId=322613 JobName=S2_S2
   UserId=vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6686 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=3-09:25:24 TimeLimit=10-10:00:00 TimeMin=N/A
   SubmitTime=2025-10-27T12:22:16 EligibleTime=2025-10-27T12:22:16
   AccrueTime=2025-10-27T12:22:16
   StartTime=2025-10-27T12:22:17 EndTime=2025-10-30T21:47:41 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-27T12:22:17 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:1276323
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc103
   BatchHost=srvrochpc103
   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=srvrochpc103 CPU_IDs=24-39 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-322613.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-322613.out
   Power=
   TresPerTask=cpu:16
   MailUser=dewald.vanheerden@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT