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It would be helpful to have the option to parallelize efficiently over multiple compute nodes (i.e. with the -npool flag) for large, expensive otf simulations. Should be an easy fix -- just have to give the option in otf.py to use "run_dft_npool" instead of "run_dft_par".
The text was updated successfully, but these errors were encountered:
It would be helpful to have the option to parallelize efficiently over multiple compute nodes (i.e. with the -npool flag) for large, expensive otf simulations. Should be an easy fix -- just have to give the option in otf.py to use "run_dft_npool" instead of "run_dft_par".
The text was updated successfully, but these errors were encountered: