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

Bernstein, Noam CIV USN NRL (6393) Washington DC (USA) noam.bernstein at nrl.navy.mil
Fri Aug 18 18:42:29 UTC 2023

I'm the lead developer of another workflow system, wfl (github.com/libAtoms/workflow<http://github.com/libAtoms/workflow>), which works with slurm using an abstraction layer we also developed, ExPyRe (github.com/libAtoms/Expyre<http://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)
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.


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