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(parent: 0eb24bf) | patch
general SIMD acceleration for angles+dihedrals
authorBerk Hess <hess@kth.se>
Thu, 28 Feb 2013 17:05:40 +0000 (18:05 +0100)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Mon, 29 Apr 2013 14:42:07 +0000 (16:42 +0200)
commit34748c751488d3c77c1639cc3dbe29dfdf2ee0fb
treea9b273cb3f292d3bd196b3baaf24f1377ee515d1tree | snapshot
parent0eb24bfa5c6ff73f6751858ccf8d938b5659546bcommit | diff
general SIMD acceleration for angles+dihedrals

Implemented SIMD intrinsics for angle potential and pbc_dx.
Changed SSE2 intrinsics to general SIMD using gmx_simd_macros.h.
Improves performance significantly, especially with AVX-256
and reduces load imbalance, especially with GPUs.

Change-Id: Ic83441cce68714ae91c6d5ca2a6e1069a62cd2ae
include/gmx_simd_macros.h diff | blob | history
src/gmxlib/bondfree.c diff | blob | history
src/mdlib/nbnxn_atomdata.c diff | blob | history
src/mdlib/nbnxn_internal.h diff | blob | history
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