JOB DETAILS FOR JOB 191598

captured Thu Jul 31 00:52:01 SAST 2025

MaxRAM=0.7G
MaxVMSize=0G
AveCPUFreq=2.82M
AveDiskRead=57101490
AveDiskWrite=7610122

JobId=191598 JobName=enamine_locator
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7626 Nice=0 Account=h3d QOS=normal
   JobState=RUNNING Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:06:26 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-07-31T00:45:33 EligibleTime=2025-07-31T00:45:33
   AccrueTime=2025-07-31T00:45:33
   StartTime=2025-07-31T00:45:35 EndTime=2025-08-04T04:45:35 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-07-31T00:45:35 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3111749
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc107
   BatchHost=srvrochpc107
   NumNodes=1 NumCPUs=1 NumTasks=1 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=1,mem=8000M,node=1,billing=1
   AllocTRES=cpu=1,mem=8000M,node=1,billing=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc107 CPU_IDs=21 Mem=8000 GRES=
   MinCPUsNode=1 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.batch
   WorkDir=/scratch/01430176/PhaseDB/enamine_locator_PhaseDB
   Comment=SchrodingerJobId=srvrochpc001-0-688aa08d 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 191598

captured Thu Jul 31 00:52:44 SAST 2025

JobId=191598 JobName=enamine_locator
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7626 Nice=0 Account=h3d QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:06:58 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-07-31T00:45:33 EligibleTime=2025-07-31T00:45:33
   AccrueTime=2025-07-31T00:45:33
   StartTime=2025-07-31T00:45:35 EndTime=2025-07-31T00:52:33 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-07-31T00:45:35 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3111749
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc107
   BatchHost=srvrochpc107
   NumNodes=1 NumCPUs=1 NumTasks=1 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=1,mem=8000M,node=1,billing=1
   AllocTRES=cpu=1,mem=8000M,node=1,billing=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc107 CPU_IDs=21 Mem=8000 GRES=
   MinCPUsNode=1 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.batch
   WorkDir=/scratch/01430176/PhaseDB/enamine_locator_PhaseDB
   Comment=SchrodingerJobId=srvrochpc001-0-688aa08d 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 191598

captured Thu Jul 31 00:53:01 SAST 2025

JobId=191598 JobName=enamine_locator
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7626 Nice=0 Account=h3d QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:06:58 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-07-31T00:45:33 EligibleTime=2025-07-31T00:45:33
   AccrueTime=2025-07-31T00:45:33
   StartTime=2025-07-31T00:45:35 EndTime=2025-07-31T00:52:33 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-07-31T00:45:35 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3111749
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc107
   BatchHost=srvrochpc107
   NumNodes=1 NumCPUs=1 NumTasks=1 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=1,mem=8000M,node=1,billing=1
   AllocTRES=cpu=1,mem=8000M,node=1,billing=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc107 CPU_IDs=21 Mem=8000 GRES=
   MinCPUsNode=1 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.batch
   WorkDir=/scratch/01430176/PhaseDB/enamine_locator_PhaseDB
   Comment=SchrodingerJobId=srvrochpc001-0-688aa08d 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 191598

captured Thu Jul 31 00:53:44 SAST 2025

JobId=191598 JobName=enamine_locator
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7626 Nice=0 Account=h3d QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:06:58 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-07-31T00:45:33 EligibleTime=2025-07-31T00:45:33
   AccrueTime=2025-07-31T00:45:33
   StartTime=2025-07-31T00:45:35 EndTime=2025-07-31T00:52:33 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-07-31T00:45:35 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3111749
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc107
   BatchHost=srvrochpc107
   NumNodes=1 NumCPUs=1 NumTasks=1 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=1,mem=8000M,node=1,billing=1
   AllocTRES=cpu=1,mem=8000M,node=1,billing=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc107 CPU_IDs=21 Mem=8000 GRES=
   MinCPUsNode=1 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.batch
   WorkDir=/scratch/01430176/PhaseDB/enamine_locator_PhaseDB
   Comment=SchrodingerJobId=srvrochpc001-0-688aa08d 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 191598

captured Thu Jul 31 00:54:01 SAST 2025

JobId=191598 JobName=enamine_locator
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7626 Nice=0 Account=h3d QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:06:58 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-07-31T00:45:33 EligibleTime=2025-07-31T00:45:33
   AccrueTime=2025-07-31T00:45:33
   StartTime=2025-07-31T00:45:35 EndTime=2025-07-31T00:52:33 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-07-31T00:45:35 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3111749
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc107
   BatchHost=srvrochpc107
   NumNodes=1 NumCPUs=1 NumTasks=1 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
   ReqTRES=cpu=1,mem=8000M,node=1,billing=1
   AllocTRES=cpu=1,mem=8000M,node=1,billing=1
   Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
   JOB_GRES=(null)
     Nodes=srvrochpc107 CPU_IDs=21 Mem=8000 GRES=
   MinCPUsNode=1 MinMemoryCPU=8000M MinTmpDiskNode=0
   Features=(null) DelayBoot=00:00:00
   OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
   Command=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.batch
   WorkDir=/scratch/01430176/PhaseDB/enamine_locator_PhaseDB
   Comment=SchrodingerJobId=srvrochpc001-0-688aa08d 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc001-688aa/srvrochpc001-0-688aa08d.qlog
   Power=