Worked around missing OpenMP implementation in orires.
commit0be497b7a9ea605dad3780c479c3018f3c93bc41
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>
Wed, 2 Aug 2017 17:14:38 +0000 (2 19:14 +0200)
treeb878a3a0454d2330e2d7fe9dbcf396fae390a961
parent8d444e2d23346d755bc74f5cdff5e62cbc149d36
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