Hi,
I don’t think there is a detailed documentation going specifically through those settings, there is however a bit more detail in the code itself: https://github.com/VirtualFlow/VFVS/blob/develop/tools/templates/all.ctrl
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=8
# 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=8
# 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
central_todo_list_splitting_size=10000
# When the folders are initially prepared the first time, the central todo list will be split into pieces of size <central_todo_list_splitting_size>. One task corresponds to one collection.
# Recommended value: < 100000, e.g. 10000
# Possible values: Positive integer
# The smaller the value, the faster the ligand collections can be distributed.
# For many types of clusters it is recommended if the total number of splitted todo lists stays below 10000.
# Settable via range control files: Yes
ligands_todo_per_queue=100000
# Used as a limit of ligands for the to-do lists
# This value should be divisible by the next setting "ligands_todo_per_refilling_step"
# Settable via range control files: Yes
ligands_per_refilling_step=10000
# The to-do files of the queues are filled with <ligands_per_refilling_step> ligands per refill step
# A number roughly equal to the average of number of ligands per collection is recommended
# Settable via range control files: Yes
But in case you missed them, there has been some exchanges on that specific topic in this community, and if you read from some of those links (especially the first one), I think it will help your understanding on how to set those settings :
I think in your case since it looks set for 1 job at a time, I don’t think it makes Slurm scale to multiple nodes, hence you’re only seeing those 8 CPUs on that one node being used.
Regards,
Guilhem