JOB DETAILS FOR JOB 346793

captured Tue Nov 18 16:04:01 SAST 2025

MaxRAM=1G
MaxVMSize=0G
AveCPUFreq=3.30M
AveDiskRead=82165915
AveDiskWrite=2662715

01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7608 Nice=0 Account=h3d QOS=normal
   JobState=RUNNING Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:01:49 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-11-18T16:02:12 EligibleTime=2025-11-18T16:02:12
   AccrueTime=2025-11-18T16:02:12
   StartTime=2025-11-18T16:02:12 EndTime=2025-11-22T20:02:12 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-18T16:02:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100:1791617
   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=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/srvrochpc100-691c7/srvrochpc100-0-691c7c64.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/HunACE_pep-drugs_MMGBSA
   Comment=SchrodingerJobId=srvrochpc100-0-691c7c64 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-691c7/srvrochpc100-0-691c7c64.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-691c7/srvrochpc100-0-691c7c64.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 346793

captured Tue Nov 18 16:04:39 SAST 2025

01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7608 Nice=0 Account=h3d QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:02:18 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-11-18T16:02:12 EligibleTime=2025-11-18T16:02:12
   AccrueTime=2025-11-18T16:02:12
   StartTime=2025-11-18T16:02:12 EndTime=2025-11-18T16:04:30 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-18T16:02:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100:1791617
   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=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/srvrochpc100-691c7/srvrochpc100-0-691c7c64.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/HunACE_pep-drugs_MMGBSA
   Comment=SchrodingerJobId=srvrochpc100-0-691c7c64 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-691c7/srvrochpc100-0-691c7c64.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-691c7/srvrochpc100-0-691c7c64.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 346793

captured Tue Nov 18 16:05:02 SAST 2025

01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7608 Nice=0 Account=h3d QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:02:18 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-11-18T16:02:12 EligibleTime=2025-11-18T16:02:12
   AccrueTime=2025-11-18T16:02:12
   StartTime=2025-11-18T16:02:12 EndTime=2025-11-18T16:04:30 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-18T16:02:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100:1791617
   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=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/srvrochpc100-691c7/srvrochpc100-0-691c7c64.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/HunACE_pep-drugs_MMGBSA
   Comment=SchrodingerJobId=srvrochpc100-0-691c7c64 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-691c7/srvrochpc100-0-691c7c64.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-691c7/srvrochpc100-0-691c7c64.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 346793

captured Tue Nov 18 16:05:40 SAST 2025

01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7608 Nice=0 Account=h3d QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:02:18 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-11-18T16:02:12 EligibleTime=2025-11-18T16:02:12
   AccrueTime=2025-11-18T16:02:12
   StartTime=2025-11-18T16:02:12 EndTime=2025-11-18T16:04:30 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-18T16:02:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100:1791617
   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=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/srvrochpc100-691c7/srvrochpc100-0-691c7c64.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/HunACE_pep-drugs_MMGBSA
   Comment=SchrodingerJobId=srvrochpc100-0-691c7c64 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-691c7/srvrochpc100-0-691c7c64.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-691c7/srvrochpc100-0-691c7c64.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 346793

captured Tue Nov 18 16:06:01 SAST 2025

01430176(1221911089 Stephen Fienberg) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7608 Nice=0 Account=h3d QOS=normal
   JobState=COMPLETED Reason=None Dependency=(null)
   Requeue=0 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=00:02:18 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2025-11-18T16:02:12 EligibleTime=2025-11-18T16:02:12
   AccrueTime=2025-11-18T16:02:12
   StartTime=2025-11-18T16:02:12 EndTime=2025-11-18T16:04:30 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2025-11-18T16:02:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100:1791617
   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=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/srvrochpc100-691c7/srvrochpc100-0-691c7c64.batch
   WorkDir=/scratch/01430176/schrod_tmp/01430176/HunACE_pep-drugs_MMGBSA
   Comment=SchrodingerJobId=srvrochpc100-0-691c7c64 
   StdErr=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-691c7/srvrochpc100-0-691c7c64.qlog
   StdIn=/dev/null
   StdOut=/home/01430176/.schrodinger/.jobdb2/files/srvrochpc100-691c7/srvrochpc100-0-691c7c64.qlog
   Power=