JOB DETAILS FOR JOB 219223

captured Fri Aug 8 12:16:41 SAST 2025

MaxRAM=8.2G
MaxVMSize=0G
AveCPUFreq=0
AveDiskRead=190003813744
AveDiskWrite=89340010751

JobId=219223 JobName=S7
   UserId=vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6871 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=21:42:10 TimeLimit=5-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-07T14:34:30 EligibleTime=2025-08-07T14:34:30
   AccrueTime=2025-08-07T14:34:30
   StartTime=2025-08-07T14:34:31 EndTime=2025-08-12T14:34:31 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-07T14:34:31 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:2501281
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc226
   BatchHost=srvrochpc226
   NumNodes=1 NumCPUs=10 NumTasks=1 CPUs/Task=10 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=10,mem=96G,node=1,billing=19
   AllocTRES=cpu=10,mem=96G,node=1,billing=19
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc226 CPU_IDs=11-16,31-34 Mem=98304 GRES=
   MinCPUsNode=13 MinMemoryNode=96G 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-219223.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-219223.out
   Power=
   TresPerTask=cpu:10
   MailUser=dewald.vanheerden@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
UCT HPC clusterJOB DETAILS FOR JOB 219223

captured Fri Aug 8 12:17:01 SAST 2025

JobId=219223 JobName=S7
   UserId=vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6871 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=21:42:19 TimeLimit=5-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-07T14:34:30 EligibleTime=2025-08-07T14:34:30
   AccrueTime=2025-08-07T14:34:30
   StartTime=2025-08-07T14:34:31 EndTime=2025-08-08T12:16:50 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-07T14:34:31 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:2501281
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc226
   BatchHost=srvrochpc226
   NumNodes=1 NumCPUs=10 NumTasks=1 CPUs/Task=10 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=10,mem=96G,node=1,billing=19
   AllocTRES=cpu=10,mem=96G,node=1,billing=19
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc226 CPU_IDs=11-16,31-34 Mem=98304 GRES=
   MinCPUsNode=13 MinMemoryNode=96G 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-219223.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-219223.out
   Power=
   TresPerTask=cpu:10
   MailUser=dewald.vanheerden@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
UCT HPC clusterJOB DETAILS FOR JOB 219223

captured Fri Aug 8 12:17:42 SAST 2025

JobId=219223 JobName=S7
   UserId=vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6871 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=21:42:19 TimeLimit=5-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-07T14:34:30 EligibleTime=2025-08-07T14:34:30
   AccrueTime=2025-08-07T14:34:30
   StartTime=2025-08-07T14:34:31 EndTime=2025-08-08T12:16:50 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-07T14:34:31 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:2501281
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc226
   BatchHost=srvrochpc226
   NumNodes=1 NumCPUs=10 NumTasks=1 CPUs/Task=10 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=10,mem=96G,node=1,billing=19
   AllocTRES=cpu=10,mem=96G,node=1,billing=19
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc226 CPU_IDs=11-16,31-34 Mem=98304 GRES=
   MinCPUsNode=13 MinMemoryNode=96G 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-219223.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-219223.out
   Power=
   TresPerTask=cpu:10
   MailUser=dewald.vanheerden@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
UCT HPC clusterJOB DETAILS FOR JOB 219223

captured Fri Aug 8 12:18:01 SAST 2025

JobId=219223 JobName=S7
   UserId=vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6871 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=21:42:19 TimeLimit=5-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-07T14:34:30 EligibleTime=2025-08-07T14:34:30
   AccrueTime=2025-08-07T14:34:30
   StartTime=2025-08-07T14:34:31 EndTime=2025-08-08T12:16:50 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-07T14:34:31 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:2501281
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc226
   BatchHost=srvrochpc226
   NumNodes=1 NumCPUs=10 NumTasks=1 CPUs/Task=10 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=10,mem=96G,node=1,billing=19
   AllocTRES=cpu=10,mem=96G,node=1,billing=19
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc226 CPU_IDs=11-16,31-34 Mem=98304 GRES=
   MinCPUsNode=13 MinMemoryNode=96G 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-219223.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-219223.out
   Power=
   TresPerTask=cpu:10
   MailUser=dewald.vanheerden@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
UCT HPC clusterJOB DETAILS FOR JOB 219223

captured Fri Aug 8 12:18:42 SAST 2025

JobId=219223 JobName=S7
   UserId=vhrdew002(465011007 Dewald Van Heerden) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6871 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=21:42:19 TimeLimit=5-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-07T14:34:30 EligibleTime=2025-08-07T14:34:30
   AccrueTime=2025-08-07T14:34:30
   StartTime=2025-08-07T14:34:31 EndTime=2025-08-08T12:16:50 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-07T14:34:31 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:2501281
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc226
   BatchHost=srvrochpc226
   NumNodes=1 NumCPUs=10 NumTasks=1 CPUs/Task=10 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=10,mem=96G,node=1,billing=19
   AllocTRES=cpu=10,mem=96G,node=1,billing=19
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc226 CPU_IDs=11-16,31-34 Mem=98304 GRES=
   MinCPUsNode=13 MinMemoryNode=96G 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-219223.out
   StdIn=/dev/null
   StdOut=/scratch/vhrdew002/slurm-219223.out
   Power=
   TresPerTask=cpu:10
   MailUser=dewald.vanheerden@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT