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

 but in writing a recent paper about it we looked at other systems, and ones that we know of that use queuing systems include:

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<div class="">ASR atomic simulation recipes (which uses MyQueue)</div>

<div class="">Atomate/Fireworks</div>

<div class="">PyIron/Pysqua</div>

<div class="">AiiDA</div>

<div class="">icolos (<a href="https://github.com/MolecularAI/Icolos" class="">https://github.com/MolecularAI/Icolos</a>)</div>

<div class="">qmpy (part of OQMD)</div>

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Note that I'm not promising that they currently support slurm, but it's a list to start your research from.<br class="">

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<div class=""><span class="Apple-tab-span" style="white-space:pre"></span>Noam<br class="">

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