parallelisation problem

[jouteurestaque]

hello

I do have huge problem of parallelization in my cluster

there is no way I can make 2 conformers to optimized by splitting the CPU in half 50% (power) that is going nowhere.
if I use the omp-min 2 (I have two conformers but it is splitting my CPU)
and with omp 2 or whatever it is only doing one conformer at a time/

I don't get what control what?

do someone ever managed in a cluster with slurm?

thank you

[lmseidler]

i'm not sure what you mean. the manual omp setting (in v3 this replaces ompmin) sets the smallest number of threads assigned per conformer, i.e. omp = 2 means that each conformer uses at least 2 threads. if oversubscribing threads is what you want, this is not possible and probably not recommendable anyways. there is a reason why the default omp value is 4.

[jouteurestaque]

It is the cluster it doesn't seem to get what the soft is saying I will show you tomorrow probably