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use bit operations to construct nbor sort keys#545

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amcadmus merged 5 commits intodeepmodeling:develfrom
denghuilu:devel
Apr 23, 2021
Merged

use bit operations to construct nbor sort keys#545
amcadmus merged 5 commits intodeepmodeling:develfrom
denghuilu:devel

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@denghuilu denghuilu commented Apr 20, 2021

Changes

  • use bit operations to construct nbor sort keys;
  • set unsigned long long as uint_64 instead of int_64;
  • add gpu fmt_nlist unit tests;
  • fix a bug of MD inference which may cause the program to crash, see running error on gpu_cuda.h #533

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changes

  • add ut for encoding/decoding nbor info

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codecov-commenter commented Apr 23, 2021

Codecov Report

Merging #545 (58e83ae) into devel (4b5e916) will decrease coverage by 0.05%.
The diff coverage is n/a.

Impacted file tree graph

@@            Coverage Diff             @@
##            devel     #545      +/-   ##
==========================================
- Coverage   62.15%   62.09%   -0.06%     
==========================================
  Files          74       74              
  Lines        6220     6229       +9     
==========================================
+ Hits         3866     3868       +2     
- Misses       2354     2361       +7     
Impacted Files Coverage Δ
deepmd/utils/argcheck.py 16.54% <0.00%> (-0.13%) ⬇️
deepmd/loss/tensor.py 32.53% <0.00%> (+0.53%) ⬆️

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@amcadmus amcadmus merged commit 7defc15 into deepmodeling:devel Apr 23, 2021
@njzjz njzjz linked an issue Apr 23, 2021 that may be closed by this pull request
gzq942560379 pushed a commit to HPC-AI-Team/deepmd-kit that referenced this pull request Sep 1, 2021
use bit operations to construct nbor sort keys
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running error on gpu_cuda.h

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