Code

Parallel torsiondrive optimisations#277

Code

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jthorton merged 7 commits intomainopenforcefield/openff-bespokefit:mainfrom td_optsopenforcefield/openff-bespokefit:td_optsCopy head branch name to clipboardAug 4, 2023

+26-9

Commits

Commits on Jul 20, 2023

• make cli workers use the solo celery pool, enable parallel torsiondrives

  jthorton

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  dbcd9b4

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• remove logging calls in the torsiondrive

  jthorton

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  7e77128

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• try concurrent.futures pool to stop slurm hang

  jthorton

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  3c8a981

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Commits on Jul 21, 2023

• switch back to multiprocessing and use spawn in the pool

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  e5f911a

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Commits on Jul 31, 2023

• clean up comment

  jthorton

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  3a6dc66

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• typo in context

  jthorton

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  90c0793

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• fix worker test

  jthorton

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  0121bf2

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