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(parent: be20095) | patch
fixed multiple distance restraints with OpenMP
authorBerk Hess <hess@kth.se>
Wed, 7 Aug 2013 15:33:25 +0000 (17:33 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Sat, 21 Sep 2013 19:49:38 +0000 (21:49 +0200)
commit1bc531070a94a4d967ad209df71a53069145a85e
tree18b5cd6765e52610ef25e02dd8df145949c6ffbetree | snapshot
parentbe20095e31081beedfebc2c917b31dbbf923eccfcommit | diff
fixed multiple distance restraints with OpenMP

Distance restraints with multiple pairs (the same label) are no
longer split over multiple OpenMP threads. Some (beneficial)
reorganization of the bonded thread division was required to do this,
most importantly: removed calc_one_bond_foreign.
Fixes #1316

Change-Id: I88d8eafede5cbc26c19026a9272639e652f7abd7
include/bondf.h diff | blob | history
include/types/idef.h diff | blob | history
src/gmxlib/bondfree.c diff | blob | history
src/kernel/md.c diff | blob | history
src/mdlib/domdec.c diff | blob | history
src/mdlib/minimize.c diff | blob | history
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