JOB DETAILS FOR JOB 51344

captured Tue Nov 19 18:50:34 SAST 2024

MaxRAM=0G
MaxVMSize=0G
AveCPUFreq=3.09M
AveDiskRead=1888489
AveDiskWrite=339012

JobId=51344 JobName=covalent_dockin
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7561 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=01:39:26 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-11-19T17:11:08 EligibleTime=2024-11-19T17:11:08
   AccrueTime=2024-11-19T17:11:08
   StartTime=2024-11-19T17:11:08 EndTime=2024-11-23T21:11:08 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-11-19T17:11:08 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc103.uct.ac.za:871203
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc102
   BatchHost=srvrochpc102
   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=srvrochpc102 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/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.batch
   WorkDir=/scratch/chdbha001/Clp-Ser98-Cov-NuDB/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc103-0-673caa8b 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 51344

captured Tue Nov 19 18:51:01 SAST 2024

JobId=51344 JobName=covalent_dockin
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7561 Nice=0 Account=h3d QOS=normal
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=128:0
   DerivedExitCode=0:0
   RunTime=01:39:32 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-11-19T17:11:08 EligibleTime=2024-11-19T17:11:08
   AccrueTime=2024-11-19T17:11:08
   StartTime=2024-11-19T17:11:08 EndTime=2024-11-19T18:50:40 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-11-19T17:11:08 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc103.uct.ac.za:871203
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc102
   BatchHost=srvrochpc102
   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=srvrochpc102 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/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.batch
   WorkDir=/scratch/chdbha001/Clp-Ser98-Cov-NuDB/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc103-0-673caa8b 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 51344

captured Tue Nov 19 18:51:37 SAST 2024

JobId=51344 JobName=covalent_dockin
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7561 Nice=0 Account=h3d QOS=normal
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=128:0
   DerivedExitCode=0:0
   RunTime=01:39:32 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-11-19T17:11:08 EligibleTime=2024-11-19T17:11:08
   AccrueTime=2024-11-19T17:11:08
   StartTime=2024-11-19T17:11:08 EndTime=2024-11-19T18:50:40 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-11-19T17:11:08 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc103.uct.ac.za:871203
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc102
   BatchHost=srvrochpc102
   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=srvrochpc102 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/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.batch
   WorkDir=/scratch/chdbha001/Clp-Ser98-Cov-NuDB/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc103-0-673caa8b 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 51344

captured Tue Nov 19 18:52:01 SAST 2024

JobId=51344 JobName=covalent_dockin
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7561 Nice=0 Account=h3d QOS=normal
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=128:0
   DerivedExitCode=0:0
   RunTime=01:39:32 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-11-19T17:11:08 EligibleTime=2024-11-19T17:11:08
   AccrueTime=2024-11-19T17:11:08
   StartTime=2024-11-19T17:11:08 EndTime=2024-11-19T18:50:40 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-11-19T17:11:08 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc103.uct.ac.za:871203
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc102
   BatchHost=srvrochpc102
   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=srvrochpc102 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/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.batch
   WorkDir=/scratch/chdbha001/Clp-Ser98-Cov-NuDB/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc103-0-673caa8b 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.qlog
   Power=
UCT HPC clusterJOB DETAILS FOR JOB 51344

captured Tue Nov 19 18:52:37 SAST 2024

JobId=51344 JobName=covalent_dockin
   UserId=chdbha001(465174794 Bhanwar Choudhary) GroupId=eresearch_hpc_users(1221947160) MCS_label=N/A
   Priority=7561 Nice=0 Account=h3d QOS=normal
   JobState=FAILED Reason=NonZeroExitCode Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=128:0
   DerivedExitCode=0:0
   RunTime=01:39:32 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-11-19T17:11:08 EligibleTime=2024-11-19T17:11:08
   AccrueTime=2024-11-19T17:11:08
   StartTime=2024-11-19T17:11:08 EndTime=2024-11-19T18:50:40 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-11-19T17:11:08 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc103.uct.ac.za:871203
   ReqNodeList=(null) ExcNodeList=(null)
   NodeList=srvrochpc102
   BatchHost=srvrochpc102
   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=srvrochpc102 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/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.batch
   WorkDir=/scratch/chdbha001/Clp-Ser98-Cov-NuDB/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc103-0-673caa8b 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc103-673ca/srvrochpc103-0-673caa8b.qlog
   Power=