Worked around missing OpenMP implementation in orires.
commit71a17da6051bb809ab6b8fb46b99774d60a30ccc
authorDavid van der Spoel <spoel@xray.bmc.uu.se>
Wed, 2 Aug 2017 07:15:50 +0000 (2 09:15 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 15 Aug 2017 14:55:35 +0000 (15 16:55 +0200)
tree148387be4a3261f6ed8d3babba94337da943f20c
parent97f9f399c1a82e1bf63d96642855b434ce020dcd
Worked around missing OpenMP implementation in orires.

The orientation restraint code is not aware of OpenMP threads
and uses some global information. By only running it on the
master node results are now independent of number of threads
used.

Fixes #2223

Change-Id: Ie86f4bd4e645fa71a58114950f6a297b5788e022
src/gromacs/listed-forces/listed-forces.cpp