Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.
BSD 3-Clause "New" or "Revised" License
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is this model can use multi cpu for relaxing? #60
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sunjiwon opened 1 year ago
when i use the this code, the cpu load is always equal when allocate 32 core and 1 core. i think this code is run using in 1 core-cpu.
from m3gnet.models import Relaxer relaxer = Relaxer() relax_results = relaxer.relax(candidate_structure[0], verbose=True, steps=2000, interval=20, )
Thank you for creating such an amazing code.