LAMMPS-GPU (mace) installed Failed

ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

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Open waywaygirl opened 3 months ago

waywaygirl commented 3 months ago

compile libtorch failed when install lammps gpu,

error: use of deleted function 'torch::jit::Module::Module(torch::jit::Module&&)

Need help. mace

ilyes319 commented 3 months ago

What version of torch and libtorch are you using?

waywaygirl commented 3 months ago

What version of torch and libtorch are you using?

libtorch 2.2 and cuda 11.2 and I saw that libtorch 2.2 matches cuda12.1, maybe not match cuda11.2 ?

wcwitt commented 2 months ago

We may be able to help if you are able to provide everything you attempted. What modules, what CMake commands, etc?

It may also be a good idea to ask your system administrator, as many issues can be system-specific.