"Bernstein, Noam CIV USN NRL (6393) Washington DC (USA)" <noam.bernst...@nrl.navy.mil> writes:
> I'm the lead developer of another workflow system, wfl > (github.com/libAtoms/workflow), which works with slurm using an abstraction > layer we also > developed, ExPyRe (github.com/libAtoms/Expyre), but in writing a recent paper > about it we looked at other systems, and ones that we know of that use > queuing systems include: > > ASR atomic simulation recipes (which uses MyQueue) > Atomate/Fireworks > PyIron/Pysqua > AiiDA > icolos (https://github.com/MolecularAI/Icolos) > qmpy (part of OQMD) > > Note that I'm not promising that they currently support slurm, but it's a > list to start your research from. > > Noam > On our system we have a number of people, mainly from the life sciences, who use Nextflow https://www.nextflow.io/ It is slightly problematic from our point of view, as it does not yet support job arrays. However, there is development activity going on to address this: https://github.com/nextflow-io/nextflow/issues/1477 Cheers, Loris -- Dr. Loris Bennett (Herr/Mr) ZEDAT, Freie Universität Berlin
