ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
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Handle a wider range of possible slurm env vars #332

Closed bernstei closed 4 months ago

bernstei commented 4 months ago

If the slurm job is started with --ntasks_per_node and --nnodes, rather than --ntasks, the env vars currently expected aren' present. Fix that parsing.

Note that I think it'd be good to make the interface to this more general. Maybe all that's needed it to remove "slurm" from the slurm_distributed.py filename and check the possible env vars of different queuing systems (maybe not even actually implement any yet, but at least structure it that way).