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This repository was archived by the owner on Apr 9, 2025. It is now read-only.
This repository was archived by the owner on Apr 9, 2025. It is now read-only.

is this model can use multi cpu for relaxing? #60

@sunjiwon

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@sunjiwon

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.

  1. please let me know 'how to use multi-threading in your code'
  2. is it faster using gpu in Relaxing code?

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.

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