JOB DETAILS FOR JOB 299685

captured Mon Oct 6 00:33:35 SAST 2025

MaxRAM=0.6G
MaxVMSize=0G
AveCPUFreq=1.28M
AveDiskRead=45520269
AveDiskWrite=33174220

JobId=299685 JobName=ChEMBL_Abau_Pha
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7628 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=00:46:23 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-10-05T23:47:11 EligibleTime=2025-10-05T23:47:11
   AccrueTime=2025-10-05T23:47:11
   StartTime=2025-10-05T23:47:12 EndTime=2025-10-10T03:47:12 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-05T23:47:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc101:4010596
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc101
   BatchHost=srvrochpc101
   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=srvrochpc101 CPU_IDs=16 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/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/ChEMBL_Abau_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc101-0-68e2e75e 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 299685

captured Mon Oct 6 00:34:01 SAST 2025

JobId=299685 JobName=ChEMBL_Abau_Pha
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7628 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=00:46:43 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-10-05T23:47:11 EligibleTime=2025-10-05T23:47:11
   AccrueTime=2025-10-05T23:47:11
   StartTime=2025-10-05T23:47:12 EndTime=2025-10-06T00:33:55 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-05T23:47:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc101:4010596
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc101
   BatchHost=srvrochpc101
   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=srvrochpc101 CPU_IDs=16 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/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/ChEMBL_Abau_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc101-0-68e2e75e 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 299685

captured Mon Oct 6 00:34:34 SAST 2025

JobId=299685 JobName=ChEMBL_Abau_Pha
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7628 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=00:46:43 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-10-05T23:47:11 EligibleTime=2025-10-05T23:47:11
   AccrueTime=2025-10-05T23:47:11
   StartTime=2025-10-05T23:47:12 EndTime=2025-10-06T00:33:55 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-05T23:47:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc101:4010596
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc101
   BatchHost=srvrochpc101
   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=srvrochpc101 CPU_IDs=16 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/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/ChEMBL_Abau_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc101-0-68e2e75e 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 299685

captured Mon Oct 6 00:35:01 SAST 2025

JobId=299685 JobName=ChEMBL_Abau_Pha
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7628 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=00:46:43 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-10-05T23:47:11 EligibleTime=2025-10-05T23:47:11
   AccrueTime=2025-10-05T23:47:11
   StartTime=2025-10-05T23:47:12 EndTime=2025-10-06T00:33:55 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-05T23:47:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc101:4010596
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc101
   BatchHost=srvrochpc101
   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=srvrochpc101 CPU_IDs=16 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/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/ChEMBL_Abau_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc101-0-68e2e75e 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 299685

captured Mon Oct 6 00:35:35 SAST 2025

JobId=299685 JobName=ChEMBL_Abau_Pha
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7628 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=00:46:43 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-10-05T23:47:11 EligibleTime=2025-10-05T23:47:11
   AccrueTime=2025-10-05T23:47:11
   StartTime=2025-10-05T23:47:12 EndTime=2025-10-06T00:33:55 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-05T23:47:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc101:4010596
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc101
   BatchHost=srvrochpc101
   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=srvrochpc101 CPU_IDs=16 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/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/ChEMBL_Abau_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc101-0-68e2e75e 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 299685

captured Mon Oct 6 00:36:01 SAST 2025

JobId=299685 JobName=ChEMBL_Abau_Pha
   UserId=01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7628 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=00:46:43 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-10-05T23:47:11 EligibleTime=2025-10-05T23:47:11
   AccrueTime=2025-10-05T23:47:11
   StartTime=2025-10-05T23:47:12 EndTime=2025-10-06T00:33:55 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-05T23:47:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc101:4010596
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc101
   BatchHost=srvrochpc101
   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=srvrochpc101 CPU_IDs=16 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/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/ChEMBL_Abau_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc101-0-68e2e75e 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e75e.qlog
   Power=