More verbose SLURM config generator + emphasize need for either container or worker_init

molmod / psiflow

scalable molecular simulation

https://molmod.github.io/psiflow/

MIT License

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More verbose SLURM config generator + emphasize need for either container or worker_init #33

Open svandenhaute opened 3 months ago

svandenhaute commented 3 months ago

The current SLURM config setup tool detects the cluster configuration quite well, but is still not very accessible for new users. If a container engine is detected, it should insert either a default container URI or warn users that the required modules need to be loaded using worker_init.