JOB DETAILS FOR JOB 299706

captured Mon Oct 6 00:45:35 SAST 2025

MaxRAM=0.7G
MaxVMSize=0G
AveCPUFreq=682K
AveDiskRead=45774958
AveDiskWrite=35451414

JobId=299706 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=00:57:44 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-10-05T23:47:50 EligibleTime=2025-10-05T23:47:50
   AccrueTime=2025-10-05T23:47:50
   StartTime=2025-10-05T23:47:51 EndTime=2025-10-10T03:47:51 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-05T23:47:51 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=37 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/srvrochpc101-0-68e2e785.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/ChEMBL_Abau_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc101-0-68e2e785 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e785.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e785.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 299706

captured Mon Oct 6 00:46:01 SAST 2025

JobId=299706 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=00:57:58 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-10-05T23:47:50 EligibleTime=2025-10-05T23:47:50
   AccrueTime=2025-10-05T23:47:50
   StartTime=2025-10-05T23:47:51 EndTime=2025-10-06T00:45:49 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-05T23:47:51 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=37 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/srvrochpc101-0-68e2e785.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/ChEMBL_Abau_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc101-0-68e2e785 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e785.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e785.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 299706

captured Mon Oct 6 00:46:34 SAST 2025

JobId=299706 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=00:57:58 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-10-05T23:47:50 EligibleTime=2025-10-05T23:47:50
   AccrueTime=2025-10-05T23:47:50
   StartTime=2025-10-05T23:47:51 EndTime=2025-10-06T00:45:49 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-05T23:47:51 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=37 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/srvrochpc101-0-68e2e785.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/ChEMBL_Abau_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc101-0-68e2e785 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e785.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e785.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 299706

captured Mon Oct 6 00:47:01 SAST 2025

JobId=299706 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=00:57:58 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-10-05T23:47:50 EligibleTime=2025-10-05T23:47:50
   AccrueTime=2025-10-05T23:47:50
   StartTime=2025-10-05T23:47:51 EndTime=2025-10-06T00:45:49 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-05T23:47:51 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=37 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/srvrochpc101-0-68e2e785.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/ChEMBL_Abau_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc101-0-68e2e785 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e785.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e785.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 299706

captured Mon Oct 6 00:47:34 SAST 2025

JobId=299706 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=00:57:58 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-10-05T23:47:50 EligibleTime=2025-10-05T23:47:50
   AccrueTime=2025-10-05T23:47:50
   StartTime=2025-10-05T23:47:51 EndTime=2025-10-06T00:45:49 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-05T23:47:51 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=37 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/srvrochpc101-0-68e2e785.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/ChEMBL_Abau_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc101-0-68e2e785 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e785.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e785.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 299706

captured Mon Oct 6 00:48:01 SAST 2025

JobId=299706 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=00:57:58 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-10-05T23:47:50 EligibleTime=2025-10-05T23:47:50
   AccrueTime=2025-10-05T23:47:50
   StartTime=2025-10-05T23:47:51 EndTime=2025-10-06T00:45:49 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-10-05T23:47:51 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=37 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/srvrochpc101-0-68e2e785.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/ChEMBL_Abau_PhaseDB-CONFSITES_revise
   Comment=SchrodingerJobId=srvrochpc101-0-68e2e785 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e785.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc101-68e2e/srvrochpc101-0-68e2e785.qlog
   Power=