[BUG] source/train/Local.py support GPU id

deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

https://docs.deepmodeling.com/projects/deepmd/

GNU Lesser General Public License v3.0

1.45k stars 499 forks source link

[BUG] source/train/Local.py support GPU id #589

Closed matzmz closed 3 years ago

matzmz commented 3 years ago

It would be nice if we could get GPU by UUIDs or GPUs by indices.

if you use an UUID (e.g. export CUDA_VISIBLE_DEVICES="GPU-08041152-9141-4970-a445-5e8b634025b5" the file 'source/train/Local.py ' will exit with an error because the code try to cast the uuid to an integer value.

Could you please support also GPU device UUID ? Newest HPC schedulers use gpu uids instead of integer indexes.

denghuilu commented 3 years ago

The GPU UUID should work well with DeePMD-kit now.