How to batch multiple CalcJobs in single submission (SLURM scheduler)?

I came up with this question on the AiiDA Slack channel and reporting here what discussed.

There is now a plugin available for this purpose: aiida-hyperqueue.

In short: the HyperQueue program will handle the submission to SLURM batching multiple jobs for you.
For more details, consult the aiida-hyperqueue and HyperQueue docs.


Thanks for reformulating your question here, @bastonero! Feedback is definitely most welcome, I’ve only tested the plugin on one of the supercomputers we use at CSCS, and I know setting the correct Slurm options can be tricky and depend on the Slurm configuration.

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