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Port more SNAP optimizations to the KOKKOS Package #1693

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merged 7 commits into from Oct 8, 2019

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stanmoore1 commented Sep 26, 2019

Summary

Port SNAP optimizations to the KOKKOS Package from Rahul Gayatri's (NERSC) Kokkos branch of TestSNAP. Speeds up performance on a V100 GPU by ~50%.

Author(s)

Stan Moore (SNL), Rahul Gayatri (NERSC)

Licensing

By submitting this pull request, I agree, that my contribution will be included in LAMMPS and redistributed under either the GNU General Public License version 2 (GPL v2) or the GNU Lesser General Public License version 2.1 (LGPL v2.1).

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No issues.

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athomps left a comment

I strongly approve.

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akohlmey commented Oct 4, 2019

@stanmoore1 please assign to me, when this is ready to be merged.

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stanmoore1 commented Oct 7, 2019

Running this through Kokkos package regression testing now.

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stanmoore1 commented Oct 7, 2019

Kokkos regression tests passed.

@stanmoore1 stanmoore1 assigned akohlmey and unassigned stanmoore1 Oct 7, 2019
@akohlmey akohlmey merged commit fe9f7f4 into lammps:master Oct 8, 2019
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@stanmoore1 stanmoore1 deleted the stanmoore1:kk_snap_opt branch Oct 22, 2019
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