MACE with AMD ROCM

[jungsdao]

I've used MACE only with CUDA so far but we got introduced with AMD GPU which uses ROCM instead of CUDA.
I've changed device="rocm" but it seems to look for CUDA and fails.
Is MACE currently supports only CUDA? Should I install pytorch differently if I want to use ROCM?

[tomdemeyere]

This can be done by installing the rocm version of torch

torch                     2.3.0+rocm6.0
torch-dftd                0.4.0
torch-ema                 0.3
torchaudio                2.3.0+rocm6.0
torchvision               0.18.0+rocm6.0

device should be set to cuda

[alinelena]

on practical terms

install mace as per usual and then

python3 -m pip uninstall torch
python3 -m pip install torch  --index-url https://download.pytorch.org/whl/rocm6.2.4

but do not hold your breath on performance.

[vbharadwaj-bk]

Third party here, I can confirm that the steps above work for RocM (and that it is slower than the CUDA version).