JOB DETAILS FOR JOB 328942

captured Fri Oct 31 00:35:33 SAST 2025

MaxRAM=0.3G
MaxVMSize=0G
AveCPUFreq=20.80K
AveDiskRead=1712100
AveDiskWrite=894855

JobId=328942 JobName=Sr4_Vibrational_Analysis
   UserId=sthtum002(1022079211 Tumelo Sethosa) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6716 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=1-12:34:36 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-10-29T12:00:57 EligibleTime=2025-10-29T12:00:57
   AccrueTime=2025-10-29T12:00:57
   StartTime=2025-10-29T12:00:57 EndTime=2025-10-31T12:00:57 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-29T12:00:57 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:1185736
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc200
   BatchHost=srvrochpc200
   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=srvrochpc200 CPU_IDs=0-39 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/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/job.pbs
   WorkDir=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis
   StdErr=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/slurm-328942.out
   StdIn=/dev/null
   StdOut=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/slurm-328942.out
   Power=
   MailUser=sthtum002@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
UCT HPC clusterJOB DETAILS FOR JOB 328942

captured Fri Oct 31 00:36:01 SAST 2025

JobId=328942 JobName=Sr4_Vibrational_Analysis
   UserId=sthtum002(1022079211 Tumelo Sethosa) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6716 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=1-12:34:59 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-10-29T12:00:57 EligibleTime=2025-10-29T12:00:57
   AccrueTime=2025-10-29T12:00:57
   StartTime=2025-10-29T12:00:57 EndTime=2025-10-31T00:35:56 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-29T12:00:57 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:1185736
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc200
   BatchHost=srvrochpc200
   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=srvrochpc200 CPU_IDs=0-39 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/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/job.pbs
   WorkDir=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis
   StdErr=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/slurm-328942.out
   StdIn=/dev/null
   StdOut=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/slurm-328942.out
   Power=
   MailUser=sthtum002@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
UCT HPC clusterJOB DETAILS FOR JOB 328942

captured Fri Oct 31 00:36:33 SAST 2025

JobId=328942 JobName=Sr4_Vibrational_Analysis
   UserId=sthtum002(1022079211 Tumelo Sethosa) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6716 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=1-12:34:59 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-10-29T12:00:57 EligibleTime=2025-10-29T12:00:57
   AccrueTime=2025-10-29T12:00:57
   StartTime=2025-10-29T12:00:57 EndTime=2025-10-31T00:35:56 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-29T12:00:57 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:1185736
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc200
   BatchHost=srvrochpc200
   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=srvrochpc200 CPU_IDs=0-39 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/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/job.pbs
   WorkDir=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis
   StdErr=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/slurm-328942.out
   StdIn=/dev/null
   StdOut=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/slurm-328942.out
   Power=
   MailUser=sthtum002@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
UCT HPC clusterJOB DETAILS FOR JOB 328942

captured Fri Oct 31 00:37:02 SAST 2025

JobId=328942 JobName=Sr4_Vibrational_Analysis
   UserId=sthtum002(1022079211 Tumelo Sethosa) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6716 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=1-12:34:59 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-10-29T12:00:57 EligibleTime=2025-10-29T12:00:57
   AccrueTime=2025-10-29T12:00:57
   StartTime=2025-10-29T12:00:57 EndTime=2025-10-31T00:35:56 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-29T12:00:57 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:1185736
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc200
   BatchHost=srvrochpc200
   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=srvrochpc200 CPU_IDs=0-39 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/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/job.pbs
   WorkDir=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis
   StdErr=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/slurm-328942.out
   StdIn=/dev/null
   StdOut=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/slurm-328942.out
   Power=
   MailUser=sthtum002@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT
UCT HPC clusterJOB DETAILS FOR JOB 328942

captured Fri Oct 31 00:37:33 SAST 2025

JobId=328942 JobName=Sr4_Vibrational_Analysis
   UserId=sthtum002(1022079211 Tumelo Sethosa) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=6716 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=1-12:34:59 TimeLimit=2-00:00:00 TimeMin=N/A
   SubmitTime=2025-10-29T12:00:57 EligibleTime=2025-10-29T12:00:57
   AccrueTime=2025-10-29T12:00:57
   StartTime=2025-10-29T12:00:57 EndTime=2025-10-31T00:35:56 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-29T12:00:57 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001:1185736
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc200
   BatchHost=srvrochpc200
   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=srvrochpc200 CPU_IDs=0-39 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/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/job.pbs
   WorkDir=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis
   StdErr=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/slurm-328942.out
   StdIn=/dev/null
   StdOut=/scratch/sthtum002/AdsorptionTests/Promoters/Cu111_v2/Promotional_Effect/GA/Hydroxides/Magnesium/More_Runs/fairchem/Further_Calcs/Mg4_on_Cu111/CHGNet_Validation/Sr4_on_Cu111/Validation_with_VASP/Vibrational_Analysis/slurm-328942.out
   Power=
   MailUser=sthtum002@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT