Closed JPDarby closed 2 months ago
Suggestion from @wcwitt fixed this. It looks like CMake just isn't finding CUDA, which is hopefully simpler than a LAMMPS or libtorch problem. I would try this to start: https://stackoverflow.com/a/46515110
Explicitly I added
-D CUDA_TOOLKIT_ROOT_DIR=/opt/nvidia/hpc_sdk/Linux_x86_64/23.11/cuda/12.3/ \
Hi, I’m trying to compile LAMMPS with MACE for GPU on a linux cluster (Construtor Research Platform, has V100s) but am running into some errors. I’m blindly following the instructions for csd3 https://mace-docs.readthedocs.io/en/latest/guide/lammps.html#instructions-for-gpu but when I run cmake I get
The output from nvcc --version is
so cuda is installed. I downloaded libtorch for cuda=12.1 so could this mismatch be the issue? If so, there doesn’t seem to be a libtorch for cuda=12.3…