Change default CHGnet.load(check_cuda_mem: bool)
to False
#164
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there's a problem with
cuda_devices_sorted_by_free_mem
onslurm
clusterschgnet/chgnet/utils/common_utils.py
Lines 36 to 50 in 81439f2
it will return whatever GPU has most free memory and so the model tries to use that even if the job was allocated a different GPU. this results in a cryptic CUDA error
given CHGNet is expected to often be used on queued HPC infra where this error can happen and the error message is not obvious to debug, @BowenD-UCB and I agreed to change the default from
True
toFalse