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(parent: 3db9c19) | patch
Fix nbnxm GPU memory reservation issue
authorBerk Hess <hess@kth.se>
Thu, 13 Jun 2019 10:09:42 +0000 (12:09 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 1 Aug 2019 16:20:44 +0000 (18:20 +0200)
commit7fe053daa1624f015eed4e62f0a167f7699c32a3
treec3898e1ffd18da388bfcf9f8b2e2a7af750fc191tree | snapshot
parent3db9c194b7d1851d2289d3cfbf625de0fc3e8efecommit | diff
Fix nbnxm GPU memory reservation issue

The nbnxm search code reserved space for exclusions without
overallocation, which led to high allocation overhead during
the first few search calls.
Merged the two loops over cluster-pair parts in
set_self_and_newton_excls_supersub() to simplify the code.

Change-Id: I5a8bad40da312c6f9b1bb44b1d8752f315a1ca53
src/gromacs/nbnxm/pairlist.cpp diff | blob | history
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