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Bug fixes and updates to the GPU package #958

merged 7 commits into from Jun 22, 2018


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3 participants

ndtrung81 commented Jun 20, 2018


This PR contains bug fixes to lj/expand/coul/long its gpu version and the gpu version of coul/long/cs, born/coul/long/cs and born/coul/wolf/cs in the CORESHELL package.


Trung Nguyen (Northwestern)

Backward Compatibility

The changes should not break backward compatibility.

Implementation Notes

The bugs in lj/expand/coul/long and its /gpu version were due to lack of careful testing (my bad, sorry). For core-shell pair styles, the neighbor list builds on the gpu should include distance close to zero and double precision should be enforced in numerous places in the kernels.

Post Submission Checklist

Please check the fields below as they are completed

  • The feature or features in this pull request is complete
  • Suitable new documentation files and/or updates to the existing docs are included
  • One or more example input decks are included
  • The source code follows the LAMMPS formatting guidelines

@ndtrung81 ndtrung81 self-assigned this Jun 20, 2018


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akohlmey commented Jun 21, 2018

@ndtrung81 please remember to assign this PR to @sjplimp when you are done with testing and it is ready to be merged. thanks, axel.

@ndtrung81 ndtrung81 assigned sjplimp and unassigned ndtrung81 Jun 21, 2018

@sjplimp sjplimp merged commit f5f73b0 into lammps:master Jun 22, 2018

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