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7:33 PM
posted on April 19, 2024 by Frost

I’m slightly confused as to how to run the MACE calculator on multiple threads, I can’t seem to find anything in any of the documentation. from mace.calculators import mace_mp from ase import build atoms = build.molecule('H2O') calc = mace_mp(model="medium", dispersion=False, default_dtype="float32", device='cpu') atoms.calc = calc print(atoms.get_potential_energy()) That’s abou

 

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