UCT HPC cluster

JOB DETAILS FOR JOB 57366

captured Mon Dec 16 11:05:02 SAST 2024

MaxRAM=4.8G
MaxVMSize=0G
AveCPUFreq=12K
AveDiskRead=10598723396+
AveDiskWrite=343027353830

JobId=57366 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=3-19:37:15 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-12-12T15:27:47 EligibleTime=2024-12-12T15:27:47
   AccrueTime=2024-12-12T15:27:47
   StartTime=2024-12-12T15:27:47 EndTime=2024-12-16T19:27:47 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-12-12T15:27:47 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100.uct.ac.za:1232052
   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=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/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.batch
   WorkDir=/tmp/chdbha001/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc100-0-675ae4d3 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.qlog
   Power=

UCT HPC clusterJOB DETAILS FOR JOB 57366

captured Mon Dec 16 11:05:38 SAST 2024

JobId=57366 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=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-19:37:50 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-12-12T15:27:47 EligibleTime=2024-12-12T15:27:47
   AccrueTime=2024-12-12T15:27:47
   StartTime=2024-12-12T15:27:47 EndTime=2024-12-16T11:05:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-12-12T15:27:47 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100.uct.ac.za:1232052
   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=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/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.batch
   WorkDir=/tmp/chdbha001/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc100-0-675ae4d3 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.qlog
   Power=

UCT HPC clusterJOB DETAILS FOR JOB 57366

captured Mon Dec 16 11:06:01 SAST 2024

JobId=57366 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=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-19:37:50 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-12-12T15:27:47 EligibleTime=2024-12-12T15:27:47
   AccrueTime=2024-12-12T15:27:47
   StartTime=2024-12-12T15:27:47 EndTime=2024-12-16T11:05:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-12-12T15:27:47 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100.uct.ac.za:1232052
   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=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/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.batch
   WorkDir=/tmp/chdbha001/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc100-0-675ae4d3 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.qlog
   Power=

UCT HPC clusterJOB DETAILS FOR JOB 57366

captured Mon Dec 16 11:06:37 SAST 2024

JobId=57366 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=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-19:37:50 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-12-12T15:27:47 EligibleTime=2024-12-12T15:27:47
   AccrueTime=2024-12-12T15:27:47
   StartTime=2024-12-12T15:27:47 EndTime=2024-12-16T11:05:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-12-12T15:27:47 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100.uct.ac.za:1232052
   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=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/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.batch
   WorkDir=/tmp/chdbha001/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc100-0-675ae4d3 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.qlog
   Power=

UCT HPC clusterJOB DETAILS FOR JOB 57366

captured Mon Dec 16 11:07:01 SAST 2024

JobId=57366 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=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-19:37:50 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-12-12T15:27:47 EligibleTime=2024-12-12T15:27:47
   AccrueTime=2024-12-12T15:27:47
   StartTime=2024-12-12T15:27:47 EndTime=2024-12-16T11:05:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-12-12T15:27:47 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100.uct.ac.za:1232052
   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=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/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.batch
   WorkDir=/tmp/chdbha001/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc100-0-675ae4d3 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.qlog
   Power=

UCT HPC clusterJOB DETAILS FOR JOB 57366

captured Mon Dec 16 11:07:37 SAST 2024

JobId=57366 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=COMPLETED Reason=None Dependency=(null)
   Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
   DerivedExitCode=0:0
   RunTime=3-19:37:50 TimeLimit=4-04:00:00 TimeMin=N/A
   SubmitTime=2024-12-12T15:27:47 EligibleTime=2024-12-12T15:27:47
   AccrueTime=2024-12-12T15:27:47
   StartTime=2024-12-12T15:27:47 EndTime=2024-12-16T11:05:37 Deadline=N/A
   SuspendTime=None SecsPreSuspend=0 LastSchedEval=2024-12-12T15:27:47 Scheduler=Main
   Partition=ada AllocNode:Sid=srvrochpc100.uct.ac.za:1232052
   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=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/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.batch
   WorkDir=/tmp/chdbha001/covalent_docking_6VGQ_Ser98_Chemdiv-Ser-Prot-Inh-31972_NuDB
   Comment=SchrodingerJobId=srvrochpc100-0-675ae4d3 
   StdErr=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.qlog
   StdIn=/dev/null
   StdOut=/home/chdbha001/.schrodinger/.jobdb2/files/srvrochpc100-675ae/srvrochpc100-0-675ae4d3.qlog
   Power=