:: :: :: ::::. :::::: :: :: .::::. :: ::::: :: .::::. :: ::
:: :: :: :: :: :: :: :: :: :: :: :: :: :: :: :: :: ::
:::: :: :::. :: :: :: :::::: :: ::::: :: :: :: ::::::::
:: :: :: :: :: :::: :: :: :::: :: ::::: '::::' :: ::
Syncing the jobfile of jobline 1 with the controlfile file …/…/workflow/control/all.ctrl.
Syncing the jobfile of jobline 2 with the controlfile file …/…/workflow/control/all.ctrl.
Syncing the jobfile of jobline 3 with the controlfile file …/…/workflow/control/all.ctrl.
Syncing the jobfile of jobline 4 with the controlfile file …/…/workflow/control/all.ctrl.
Submitted batch job 6
The job for jobline 1 has been submitted at Sat Jun 8 08:59:36 AM CST 2024.
Submitted batch job 7
The job for jobline 2 has been submitted at Sat Jun 8 08:59:37 AM CST 2024.
Submitted batch job 8
The job for jobline 3 has been submitted at Sat Jun 8 08:59:38 AM CST 2024.
Submitted batch job 9
The job for jobline 4 has been submitted at Sat Jun 8 08:59:39 AM CST 2024.
~/vf/VFVS_GK/tools# ./vf_report.sh -c workflow
:: :: :: ::::. :::::: :: :: .::::. :: ::::: :: .::::. :: ::
:: :: :: :: :: :: :: :: :: :: :: :: :: :: :: :: :: ::
:::: :: :::. :: :: :: :::::: :: ::::: :: :: :: ::::::::
:: :: :: :: :: :::: :: :: :::: :: ::::: ‘::::’ :: ::
Sat Jun 8 09:01:31 CST 2024
Workflow Status
::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
Joblines
…
Number of jobfiles in the workflow/jobfiles/main folder: 4
Number of joblines in the batch system: 7
Number of joblines in the batch system currently running: 0
-
Number of joblines in queue “test” currently running: 0
Number of joblines in the batch system currently not running: 7 -
Number of joblines in queue “test” currently not running: 7
Number of cores/slots currently used by the workflow: 0Collections
…
Total number of ligand collections: 68
Number of ligand collections completed: 0
Number of ligand collections in state “processing”: 0
Number of ligand collections not yet started: 68
Ligands (in completed collections)
…
Total number of ligands: 1123
Number of ligands started: 0
Number of ligands successfully completed: 0
Number of ligands failed: 0
Dockings (in completed collections)
…
Docking runs per ligand: 2
Number of dockings started: 0
Number of dockings successfully completed: 0
Number of dockings failed: 0
the sinfo information is here:
sinfo
PARTITION AVAIL TIMELIMIT NODES STATE NODELIST
test* up infinite 1 idle XXXXXXXXXXXXX
tth all.crtl setting is here 
job_letter=t
One alphabetic character (i.e. a letter from a-z or A-Z)
Should not be changed during runtime, and be the same for all joblines
Required when running VF several times on the same cluster to distinguish the jobs in the batchsystem
Settable via range control files: No
batchsystem=SLURM
Possible values: SLURM, TOQRUE, PBS, LSF, SGE
Settable via range control files: No
partition=test
Partitions are also called queues in some batchsystems
Settable via range control files: Yes
timelimit=0-07:00:00
Format for slurm: dd-hh:mm:ss
Format for TORQUE and PBS: hh:mm:ss
Format for SGE: hh:mm:ss
Format for LSF: hh:mm
For all batchsystems: always fill up with two digits per field (used be the job scripts)
Settable via range control files: Yes
steps_per_job=1
Not (yet) available for LSF and SGE (is always set to 1)
Should not be changed during runtime, and be the same for all joblines
Settable via range control files: Yes
cpus_per_step=4
Sets the slurm cpus-per-task variable (task = step) in SLURM
In LSF this corresponds to the number of slots per node
Should not be changed during runtime, and be the same for all joblines
Not yet available for SGE (always set to 1)
Settable via range control files: Yes
queues_per_step=4
Sets the number of queues/processes per step
Should not be changed during runtime, and be the same for all joblines
Not yet available for SGE (always set to 1)
Settable via range control files: Yes
cpus_per_queue=1
Should be equal or higher than <cpus-per-step/queues-per-step>
Should not be changed during runtime, and be the same for all joblines
Not yet available for SGE (always set to 1)
Settable via range control files: Yes
Can anyone tell me what is wrong with it, and how to correct
thanks al lot!!!