JOB DETAILS FOR JOB 57362

captured Mon Dec 16 19:24:01 SAST 2024

MaxRAM=8.1G
MaxVMSize=0G
AveCPUFreq=8K
AveDiskRead=21860550887
AveDiskWrite=643651009

JobId=57362 JobName=covalent_dockin
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7276 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=4-03:59:49 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-12-12T15:24:12 EligibleTime=2024-12-12T15:24:12
   AccrueTime=2024-12-12T15:24:12
   StartTime=2024-12-12T15:24:12 EndTime=2024-12-16T19:24:12 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-12-12T15:24:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3281370
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc100
   BatchHost=srvrochpc100
   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=srvrochpc100 CPU_IDs=1 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/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.batch
   WorkDir=/scratch/chdbha001/Clp-Ser98-Cov-NuDB/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc001-0-675ae3fb 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 57362

captured Mon Dec 16 19:24:36 SAST 2024

JobId=57362 JobName=covalent_dockin
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7276 Nice=0 Account=h3d QOS=normal
   JobState=COMPLETING Reason=TimeLimit Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=4-04:00:22 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-12-12T15:24:12 EligibleTime=2024-12-12T15:24:12
   AccrueTime=2024-12-12T15:24:12
   StartTime=2024-12-12T15:24:12 EndTime=2024-12-16T19:24:34 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-12-12T15:24:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3281370
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc100
   BatchHost=srvrochpc100
   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=srvrochpc100 CPU_IDs=1 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/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.batch
   WorkDir=/scratch/chdbha001/Clp-Ser98-Cov-NuDB/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc001-0-675ae3fb 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 57362

captured Mon Dec 16 19:25:01 SAST 2024

JobId=57362 JobName=covalent_dockin
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7276 Nice=0 Account=h3d QOS=normal
   JobState=COMPLETING Reason=TimeLimit Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=4-04:00:22 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-12-12T15:24:12 EligibleTime=2024-12-12T15:24:12
   AccrueTime=2024-12-12T15:24:12
   StartTime=2024-12-12T15:24:12 EndTime=2024-12-16T19:24:34 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-12-12T15:24:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3281370
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc100
   BatchHost=srvrochpc100
   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=srvrochpc100 CPU_IDs=1 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/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.batch
   WorkDir=/scratch/chdbha001/Clp-Ser98-Cov-NuDB/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc001-0-675ae3fb 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 57362

captured Mon Dec 16 19:25:32 SAST 2024

JobId=57362 JobName=covalent_dockin
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7276 Nice=0 Account=h3d QOS=normal
   JobState=TIMEOUT Reason=TimeLimit Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:9
   DerivedExitCode=0:0
   RunTime=4-04:00:22 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-12-12T15:24:12 EligibleTime=2024-12-12T15:24:12
   AccrueTime=2024-12-12T15:24:12
   StartTime=2024-12-12T15:24:12 EndTime=2024-12-16T19:24:34 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-12-12T15:24:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3281370
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc100
   BatchHost=srvrochpc100
   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=srvrochpc100 CPU_IDs=1 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/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.batch
   WorkDir=/scratch/chdbha001/Clp-Ser98-Cov-NuDB/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc001-0-675ae3fb 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 57362

captured Mon Dec 16 19:26:01 SAST 2024

JobId=57362 JobName=covalent_dockin
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7276 Nice=0 Account=h3d QOS=normal
   JobState=TIMEOUT Reason=TimeLimit Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:9
   DerivedExitCode=0:0
   RunTime=4-04:00:22 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-12-12T15:24:12 EligibleTime=2024-12-12T15:24:12
   AccrueTime=2024-12-12T15:24:12
   StartTime=2024-12-12T15:24:12 EndTime=2024-12-16T19:24:34 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-12-12T15:24:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3281370
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc100
   BatchHost=srvrochpc100
   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=srvrochpc100 CPU_IDs=1 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/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.batch
   WorkDir=/scratch/chdbha001/Clp-Ser98-Cov-NuDB/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc001-0-675ae3fb 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 57362

captured Mon Dec 16 19:26:32 SAST 2024

JobId=57362 JobName=covalent_dockin
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7276 Nice=0 Account=h3d QOS=normal
   JobState=TIMEOUT Reason=TimeLimit Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:9
   DerivedExitCode=0:0
   RunTime=4-04:00:22 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-12-12T15:24:12 EligibleTime=2024-12-12T15:24:12
   AccrueTime=2024-12-12T15:24:12
   StartTime=2024-12-12T15:24:12 EndTime=2024-12-16T19:24:34 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-12-12T15:24:12 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc001.uct.ac.za:3281370
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc100
   BatchHost=srvrochpc100
   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=srvrochpc100 CPU_IDs=1 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/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.batch
   WorkDir=/scratch/chdbha001/Clp-Ser98-Cov-NuDB/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc001-0-675ae3fb 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc001-675ae/srvrochpc001-0-675ae3fb.qlog
   Power=