JOB DETAILS FOR JOB 299717

captured Tue Oct 7 01:57:31 SAST 2025

MaxRAM=0G
MaxVMSize=0G
AveCPUFreq=
AveDiskRead=
AveDiskWrite=

JobId=299717 JobName=NEBOH_H2g_H2O_H_TFA_010b_p1x2_FeOH2
   UserId=01445190(1221944711 Thobani Gambu) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6704 Nice=0 Account=chemeng QOS=normal
   JobState=RUNNING Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=17:26:23 TimeLimit=5-00:00:00 TimeMin=N/A
   SubmitTime=2025-10-06T08:31:08 EligibleTime=2025-10-06T08:31:08
   AccrueTime=2025-10-06T08:31:08
   StartTime=2025-10-06T08:31:08 EndTime=2025-10-11T08:31:08 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-06T08:31:08 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3133592
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   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=srvrochpc106 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=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/job.pbs
   WorkDir=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib
   StdErr=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/slurm-299717.out
   StdIn=/dev/null
   StdOut=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/slurm-299717.out
   Power=
   MailUser=thobani.gambu@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
UCT HPC clusterJOB DETAILS FOR JOB 299717

captured Tue Oct 7 01:58:01 SAST 2025

JobId=299717 JobName=NEBOH_H2g_H2O_H_TFA_010b_p1x2_FeOH2
   UserId=01445190(1221944711 Thobani Gambu) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6704 Nice=0 Account=chemeng QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=17:26:37 TimeLimit=5-00:00:00 TimeMin=N/A
   SubmitTime=2025-10-06T08:31:08 EligibleTime=2025-10-06T08:31:08
   AccrueTime=2025-10-06T08:31:08
   StartTime=2025-10-06T08:31:08 EndTime=2025-10-07T01:57:45 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-06T08:31:08 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3133592
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   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=srvrochpc106 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=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/job.pbs
   WorkDir=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib
   StdErr=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/slurm-299717.out
   StdIn=/dev/null
   StdOut=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/slurm-299717.out
   Power=
   MailUser=thobani.gambu@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
UCT HPC clusterJOB DETAILS FOR JOB 299717

captured Tue Oct 7 01:58:49 SAST 2025

JobId=299717 JobName=NEBOH_H2g_H2O_H_TFA_010b_p1x2_FeOH2
   UserId=01445190(1221944711 Thobani Gambu) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6704 Nice=0 Account=chemeng QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=17:26:37 TimeLimit=5-00:00:00 TimeMin=N/A
   SubmitTime=2025-10-06T08:31:08 EligibleTime=2025-10-06T08:31:08
   AccrueTime=2025-10-06T08:31:08
   StartTime=2025-10-06T08:31:08 EndTime=2025-10-07T01:57:45 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-06T08:31:08 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3133592
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   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=srvrochpc106 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=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/job.pbs
   WorkDir=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib
   StdErr=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/slurm-299717.out
   StdIn=/dev/null
   StdOut=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/slurm-299717.out
   Power=
   MailUser=thobani.gambu@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
UCT HPC clusterJOB DETAILS FOR JOB 299717

captured Tue Oct 7 01:59:32 SAST 2025

JobId=299717 JobName=NEBOH_H2g_H2O_H_TFA_010b_p1x2_FeOH2
   UserId=01445190(1221944711 Thobani Gambu) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6704 Nice=0 Account=chemeng QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=17:26:37 TimeLimit=5-00:00:00 TimeMin=N/A
   SubmitTime=2025-10-06T08:31:08 EligibleTime=2025-10-06T08:31:08
   AccrueTime=2025-10-06T08:31:08
   StartTime=2025-10-06T08:31:08 EndTime=2025-10-07T01:57:45 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-06T08:31:08 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3133592
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   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=srvrochpc106 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=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/job.pbs
   WorkDir=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib
   StdErr=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/slurm-299717.out
   StdIn=/dev/null
   StdOut=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/slurm-299717.out
   Power=
   MailUser=thobani.gambu@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
UCT HPC clusterJOB DETAILS FOR JOB 299717

captured Tue Oct 7 02:00:01 SAST 2025

JobId=299717 JobName=NEBOH_H2g_H2O_H_TFA_010b_p1x2_FeOH2
   UserId=01445190(1221944711 Thobani Gambu) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6704 Nice=0 Account=chemeng QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=17:26:37 TimeLimit=5-00:00:00 TimeMin=N/A
   SubmitTime=2025-10-06T08:31:08 EligibleTime=2025-10-06T08:31:08
   AccrueTime=2025-10-06T08:31:08
   StartTime=2025-10-06T08:31:08 EndTime=2025-10-07T01:57:45 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-06T08:31:08 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3133592
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc106
   BatchHost=srvrochpc106
   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=srvrochpc106 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=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/job.pbs
   WorkDir=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib
   StdErr=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/slurm-299717.out
   StdIn=/dev/null
   StdOut=/scratch/01445190/2024/New_surface_cuts/Fe_adatom_on_TF/TFA_010b_p1x2/FTA_pFe_2OH_x2_pFe_OH_pCO2_rot0_diss/NEB_CO2_diss/NEW_NEB_OH_H2g_to_H2O_Hads/dimer_03/vib/slurm-299717.out
   Power=
   MailUser=thobani.gambu@uct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT