[slurm-users] Is there any public scientific-workflow example that can be run through Slurm?

Loris Bennett loris.bennett at fu-berlin.de
Mon Aug 21 05:41:09 UTC 2023

"Bernstein, Noam CIV USN NRL (6393) Washington DC (USA)"

<noam.bernstein at 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


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:




Dr. Loris Bennett (Herr/Mr)
ZEDAT, Freie Universität Berlin

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