JOB DETAILS FOR JOB 191904

captured Thu Jul 31 01:34:01 SAST 2025

MaxRAM=0.3G
MaxVMSize=0G
AveCPUFreq=3.29M
AveDiskRead=3422649701
AveDiskWrite=3111478439

JobId=191904 JobName=enamine_locator
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7624 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=00:08:51 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-07-31T01:25:10 EligibleTime=2025-07-31T01:25:10
   AccrueTime=2025-07-31T01:25:10
   StartTime=2025-07-31T01:25:11 EndTime=2025-08-04T05:25:11 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-07-31T01:25:11 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100:907831
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc108
   BatchHost=srvrochpc108
   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=srvrochpc108 CPU_IDs=24 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/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/enamine_locator_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc100-0-688aa9d6 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 191904

captured Thu Jul 31 01:34:41 SAST 2025

JobId=191904 JobName=enamine_locator
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7624 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=00:09:29 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-07-31T01:25:10 EligibleTime=2025-07-31T01:25:10
   AccrueTime=2025-07-31T01:25:10
   StartTime=2025-07-31T01:25:11 EndTime=2025-07-31T01:34:40 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-07-31T01:25:11 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100:907831
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc108
   BatchHost=srvrochpc108
   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=srvrochpc108 CPU_IDs=24 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/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/enamine_locator_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc100-0-688aa9d6 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 191904

captured Thu Jul 31 01:35:01 SAST 2025

JobId=191904 JobName=enamine_locator
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7624 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=00:09:29 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-07-31T01:25:10 EligibleTime=2025-07-31T01:25:10
   AccrueTime=2025-07-31T01:25:10
   StartTime=2025-07-31T01:25:11 EndTime=2025-07-31T01:34:40 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-07-31T01:25:11 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100:907831
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc108
   BatchHost=srvrochpc108
   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=srvrochpc108 CPU_IDs=24 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/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/enamine_locator_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc100-0-688aa9d6 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 191904

captured Thu Jul 31 01:35:42 SAST 2025

JobId=191904 JobName=enamine_locator
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7624 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=00:09:29 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-07-31T01:25:10 EligibleTime=2025-07-31T01:25:10
   AccrueTime=2025-07-31T01:25:10
   StartTime=2025-07-31T01:25:11 EndTime=2025-07-31T01:34:40 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-07-31T01:25:11 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100:907831
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc108
   BatchHost=srvrochpc108
   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=srvrochpc108 CPU_IDs=24 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/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/enamine_locator_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc100-0-688aa9d6 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 191904

captured Thu Jul 31 01:36:01 SAST 2025

JobId=191904 JobName=enamine_locator
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7624 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=00:09:29 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-07-31T01:25:10 EligibleTime=2025-07-31T01:25:10
   AccrueTime=2025-07-31T01:25:10
   StartTime=2025-07-31T01:25:11 EndTime=2025-07-31T01:34:40 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-07-31T01:25:11 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100:907831
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc108
   BatchHost=srvrochpc108
   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=srvrochpc108 CPU_IDs=24 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/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/enamine_locator_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc100-0-688aa9d6 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 191904

captured Thu Jul 31 01:36:41 SAST 2025

JobId=191904 JobName=enamine_locator
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7624 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=00:09:29 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-07-31T01:25:10 EligibleTime=2025-07-31T01:25:10
   AccrueTime=2025-07-31T01:25:10
   StartTime=2025-07-31T01:25:11 EndTime=2025-07-31T01:34:40 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-07-31T01:25:11 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100:907831
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc108
   BatchHost=srvrochpc108
   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=srvrochpc108 CPU_IDs=24 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/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/enamine_locator_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc100-0-688aa9d6 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 191904

captured Thu Jul 31 01:37:01 SAST 2025

JobId=191904 JobName=enamine_locator
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7624 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=00:09:29 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-07-31T01:25:10 EligibleTime=2025-07-31T01:25:10
   AccrueTime=2025-07-31T01:25:10
   StartTime=2025-07-31T01:25:11 EndTime=2025-07-31T01:34:40 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-07-31T01:25:11 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100:907831
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc108
   BatchHost=srvrochpc108
   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=srvrochpc108 CPU_IDs=24 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/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/enamine_locator_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc100-0-688aa9d6 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-688aa/srvrochpc100-0-688aa9d6.qlog
   Power=