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deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
1.43k stars 494 forks source link

dpa2 model may need a fake communication op to deal with nloc == 0. #3732

Closed github-actions[bot] closed 4 weeks ago

github-actions[bot] commented 3 months ago

this should be fixed after wrapping comm op as a pure c++ implementation.

Line: 135 https://github.com/deepmodeling/deepmd-kit/blob/d0fe13cbd8a305f08c23cef703c62d323313b2b8//source/api_cc/src/DeepPotPT.cc#L132-L142

njzjz commented 2 months ago

It seems to me that we should support the situation for nloc == 0 everywhere, instead of writing a special case.

wanghan-iapcm commented 2 months ago

I agree.

github-actions[bot] commented 4 weeks ago

Closed in commit 79071420b9caf0a69af81d7d74d37286705fd27b