| commit | 1bc531070a94a4d967ad209df71a53069145a85e | |
| author | Berk Hess <hess@kth.se> | |
| Wed, 7 Aug 2013 15:33:25 +0000 (7 17:33 +0200) | ||
| committer | Gerrit Code Review <gerrit@gerrit.gromacs.org> | |
| Sat, 21 Sep 2013 19:49:38 +0000 (21 21:49 +0200) | ||
| tree | 18b5cd6765e52610ef25e02dd8df145949c6ffbe | treesnapshot (tar.gz zip) |
| parent | be20095e31081beedfebc2c917b31dbbf923eccf | commitdiff |
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
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