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ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
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Is 0.694 timesteps/s a normal speed? #431

Closed link89 closed 4 weeks ago

link89 commented 1 month ago

It looks like the lammps project is not allowed to create issue.

I have compile a lammps-mace for CUDA environment and use it to test a 480 atoms system. The logs show that it does run on GPU but the speed is relative slow. I am just wondering is it a normal speed or not.

Here is the script of compiling mice: https://gist.github.com/link89/efcad575fb29fe228ace5c417113c957

And the log is in the attachment. mace.log