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(parent: 8d5a1d9) | patch
Improve threading of bondeds
authorBerk Hess <hess@kth.se>
Fri, 14 Nov 2014 14:22:05 +0000 (15:22 +0100)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Fri, 6 Mar 2015 16:29:10 +0000 (17:29 +0100)
commitfdf3b7d136c5638244bd6eadc175a5731682e180
tree826608932bec29ed4d15d8e87481b8792bcc69d7tree | snapshot
parent8d5a1d9fad574449fd8f0e62737b8dfa70823cbbcommit | diff
Improve threading of bondeds

To reduce the cost of the force reduction, with more than 4 OpenMP
threads the bondeds are now distributed over the threads using
atom indices instead of uniformly.

Moved the bonded thread data initialization to manage-threading.cpp.

Change-Id: Ica5d6fcfb6db1d85058ef9825d0d515a205ee257
src/gromacs/legacyheaders/types/forcerec.h diff | blob | history
src/gromacs/listed-forces/manage-threading.cpp diff | blob | history
src/gromacs/listed-forces/manage-threading.h diff | blob | history
src/gromacs/mdlib/forcerec.cpp diff | blob | history
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