UCT HPC cluster

JOB DETAILS FOR JOB 242523

captured Mon Aug 25 00:21:35 SAST 2025

MaxRAM=2.3G
MaxVMSize=0G
AveCPUFreq=260K
AveDiskRead=473771327
AveDiskWrite=6625136

JobId=242523 ArrayJobId=242521 ArrayTaskId=1 JobName=NMR_combined_pred
   UserId=dnxmat002(1221905217 Matthew Dean) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7081 Nice=0 Account=l40sfree QOS=l40sfree
   JobState=RUNNING Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=02:27:20 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-24T21:54:15 EligibleTime=2025-08-24T21:54:15
   AccrueTime=Unknown
   StartTime=2025-08-24T21:54:15 EndTime=2025-08-25T21:54:15 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-24T21:54:15 Scheduler=Backfill
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:3435120
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu012
   BatchHost=srvrocgpu012
   NumNodes=1 NumCPUs=4 NumTasks=4 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=40000M,node=1,billing=7,gres/gpu=1,gres/gpu:l40s=1
   AllocTRES=cpu=4,mem=40000M,node=1,billing=7,gres/gpu=1,gres/gpu:l40s=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:l40s:1
     Nodes=srvrocgpu012 CPU_IDs=2-3,27-28 Mem=40000 GRES=gpu:l40s:1(IDX:2)
   MinCPUsNode=1 MinMemoryCPU=10000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/dnxmat002/unimol2/Scripts/combined/combined_hyp.sh
   WorkDir=/home/dnxmat002/unimol2/Scripts/combined
   StdErr=/home/dnxmat002/unimol2/Scripts/combined/slurm-242521_1.out
   StdIn=/dev/null
   StdOut=/home/dnxmat002/unimol2/Scripts/combined/slurm-242521_1.out
   Power=
   TresPerNode=gres/gpu:l40s:1
   MailUser=dnxmat002@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT

UCT HPC clusterJOB DETAILS FOR JOB 242523

captured Mon Aug 25 00:22:01 SAST 2025

JobId=242523 ArrayJobId=242521 ArrayTaskId=1 JobName=NMR_combined_pred
   UserId=dnxmat002(1221905217 Matthew Dean) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7081 Nice=0 Account=l40sfree QOS=l40sfree
   JobState=CANCELLED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:15
   DerivedExitCode=0:0
   RunTime=02:27:41 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-24T21:54:15 EligibleTime=2025-08-24T21:54:15
   AccrueTime=Unknown
   StartTime=2025-08-24T21:54:15 EndTime=2025-08-25T00:21:56 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-24T21:54:15 Scheduler=Backfill
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:3435120
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu012
   BatchHost=srvrocgpu012
   NumNodes=1 NumCPUs=4 NumTasks=4 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=40000M,node=1,billing=7,gres/gpu=1,gres/gpu:l40s=1
   AllocTRES=cpu=4,mem=40000M,node=1,billing=7,gres/gpu=1,gres/gpu:l40s=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:l40s:1
     Nodes=srvrocgpu012 CPU_IDs=2-3,27-28 Mem=40000 GRES=
   MinCPUsNode=1 MinMemoryCPU=10000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/dnxmat002/unimol2/Scripts/combined/combined_hyp.sh
   WorkDir=/home/dnxmat002/unimol2/Scripts/combined
   StdErr=/home/dnxmat002/unimol2/Scripts/combined/slurm-242521_1.out
   StdIn=/dev/null
   StdOut=/home/dnxmat002/unimol2/Scripts/combined/slurm-242521_1.out
   Power=
   TresPerNode=gres/gpu:l40s:1
   MailUser=dnxmat002@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT

UCT HPC clusterJOB DETAILS FOR JOB 242523

captured Mon Aug 25 00:22:35 SAST 2025

JobId=242523 ArrayJobId=242521 ArrayTaskId=1 JobName=NMR_combined_pred
   UserId=dnxmat002(1221905217 Matthew Dean) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7081 Nice=0 Account=l40sfree QOS=l40sfree
   JobState=CANCELLED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:15
   DerivedExitCode=0:0
   RunTime=02:27:41 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-24T21:54:15 EligibleTime=2025-08-24T21:54:15
   AccrueTime=Unknown
   StartTime=2025-08-24T21:54:15 EndTime=2025-08-25T00:21:56 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-24T21:54:15 Scheduler=Backfill
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:3435120
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu012
   BatchHost=srvrocgpu012
   NumNodes=1 NumCPUs=4 NumTasks=4 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=40000M,node=1,billing=7,gres/gpu=1,gres/gpu:l40s=1
   AllocTRES=cpu=4,mem=40000M,node=1,billing=7,gres/gpu=1,gres/gpu:l40s=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:l40s:1
     Nodes=srvrocgpu012 CPU_IDs=2-3,27-28 Mem=40000 GRES=
   MinCPUsNode=1 MinMemoryCPU=10000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/dnxmat002/unimol2/Scripts/combined/combined_hyp.sh
   WorkDir=/home/dnxmat002/unimol2/Scripts/combined
   StdErr=/home/dnxmat002/unimol2/Scripts/combined/slurm-242521_1.out
   StdIn=/dev/null
   StdOut=/home/dnxmat002/unimol2/Scripts/combined/slurm-242521_1.out
   Power=
   TresPerNode=gres/gpu:l40s:1
   MailUser=dnxmat002@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT

UCT HPC clusterJOB DETAILS FOR JOB 242523

captured Mon Aug 25 00:23:01 SAST 2025

JobId=242523 ArrayJobId=242521 ArrayTaskId=1 JobName=NMR_combined_pred
   UserId=dnxmat002(1221905217 Matthew Dean) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7081 Nice=0 Account=l40sfree QOS=l40sfree
   JobState=CANCELLED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:15
   DerivedExitCode=0:0
   RunTime=02:27:41 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-24T21:54:15 EligibleTime=2025-08-24T21:54:15
   AccrueTime=Unknown
   StartTime=2025-08-24T21:54:15 EndTime=2025-08-25T00:21:56 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-24T21:54:15 Scheduler=Backfill
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:3435120
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu012
   BatchHost=srvrocgpu012
   NumNodes=1 NumCPUs=4 NumTasks=4 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=40000M,node=1,billing=7,gres/gpu=1,gres/gpu:l40s=1
   AllocTRES=cpu=4,mem=40000M,node=1,billing=7,gres/gpu=1,gres/gpu:l40s=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:l40s:1
     Nodes=srvrocgpu012 CPU_IDs=2-3,27-28 Mem=40000 GRES=
   MinCPUsNode=1 MinMemoryCPU=10000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/dnxmat002/unimol2/Scripts/combined/combined_hyp.sh
   WorkDir=/home/dnxmat002/unimol2/Scripts/combined
   StdErr=/home/dnxmat002/unimol2/Scripts/combined/slurm-242521_1.out
   StdIn=/dev/null
   StdOut=/home/dnxmat002/unimol2/Scripts/combined/slurm-242521_1.out
   Power=
   TresPerNode=gres/gpu:l40s:1
   MailUser=dnxmat002@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT

UCT HPC clusterJOB DETAILS FOR JOB 242523

captured Mon Aug 25 00:23:35 SAST 2025

JobId=242523 ArrayJobId=242521 ArrayTaskId=1 JobName=NMR_combined_pred
   UserId=dnxmat002(1221905217 Matthew Dean) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7081 Nice=0 Account=l40sfree QOS=l40sfree
   JobState=CANCELLED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:15
   DerivedExitCode=0:0
   RunTime=02:27:41 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-24T21:54:15 EligibleTime=2025-08-24T21:54:15
   AccrueTime=Unknown
   StartTime=2025-08-24T21:54:15 EndTime=2025-08-25T00:21:56 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-24T21:54:15 Scheduler=Backfill
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:3435120
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu012
   BatchHost=srvrocgpu012
   NumNodes=1 NumCPUs=4 NumTasks=4 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=40000M,node=1,billing=7,gres/gpu=1,gres/gpu:l40s=1
   AllocTRES=cpu=4,mem=40000M,node=1,billing=7,gres/gpu=1,gres/gpu:l40s=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:l40s:1
     Nodes=srvrocgpu012 CPU_IDs=2-3,27-28 Mem=40000 GRES=
   MinCPUsNode=1 MinMemoryCPU=10000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/dnxmat002/unimol2/Scripts/combined/combined_hyp.sh
   WorkDir=/home/dnxmat002/unimol2/Scripts/combined
   StdErr=/home/dnxmat002/unimol2/Scripts/combined/slurm-242521_1.out
   StdIn=/dev/null
   StdOut=/home/dnxmat002/unimol2/Scripts/combined/slurm-242521_1.out
   Power=
   TresPerNode=gres/gpu:l40s:1
   MailUser=dnxmat002@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT

UCT HPC clusterJOB DETAILS FOR JOB 242523

captured Mon Aug 25 00:24:01 SAST 2025

JobId=242523 ArrayJobId=242521 ArrayTaskId=1 JobName=NMR_combined_pred
   UserId=dnxmat002(1221905217 Matthew Dean) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7081 Nice=0 Account=l40sfree QOS=l40sfree
   JobState=CANCELLED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:15
   DerivedExitCode=0:0
   RunTime=02:27:41 TimeLimit=1-00:00:00 TimeMin=N/A
   SubmitTime=2025-08-24T21:54:15 EligibleTime=2025-08-24T21:54:15
   AccrueTime=Unknown
   StartTime=2025-08-24T21:54:15 EndTime=2025-08-25T00:21:56 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-08-24T21:54:15 Scheduler=Backfill
   Partition=l40s AllocNode:Sid=srvrochpc001.uct.ac.za:3435120
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrocgpu012
   BatchHost=srvrocgpu012
   NumNodes=1 NumCPUs=4 NumTasks=4 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=4,mem=40000M,node=1,billing=7,gres/gpu=1,gres/gpu:l40s=1
   AllocTRES=cpu=4,mem=40000M,node=1,billing=7,gres/gpu=1,gres/gpu:l40s=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=gpu:l40s:1
     Nodes=srvrocgpu012 CPU_IDs=2-3,27-28 Mem=40000 GRES=
   MinCPUsNode=1 MinMemoryCPU=10000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/dnxmat002/unimol2/Scripts/combined/combined_hyp.sh
   WorkDir=/home/dnxmat002/unimol2/Scripts/combined
   StdErr=/home/dnxmat002/unimol2/Scripts/combined/slurm-242521_1.out
   StdIn=/dev/null
   StdOut=/home/dnxmat002/unimol2/Scripts/combined/slurm-242521_1.out
   Power=
   TresPerNode=gres/gpu:l40s:1
   MailUser=dnxmat002@myuct.ac.za MailType=INVALID_DEPEND,BEGIN,END,FAIL,REQUEUE,STAGE_OUT