Fix bug with conjugate-gradient and OpenMP
commit12bcd057c2fddbaea15e0453369972114cfa6c2b
authorBerk Hess <hess@kth.se>
Tue, 6 Sep 2016 13:14:17 +0000 (6 15:14 +0200)
committerBerk Hess <hess@kth.se>
Tue, 6 Sep 2016 13:23:51 +0000 (6 15:23 +0200)
tree676c2248a1b7f0461c5eedebe2d896ef33d97402
parent971d66c191bc74a912f956a914363e4820b371ce
Fix bug with conjugate-gradient and OpenMP

The conjugate-gradient update routine re-used the pointer variable for
x for cg_p. This pointer was shared over threads and no barrier was
present before the pointer modification.

Fixes #1941.

Change-Id: I5f635fc3054147543820c4e5e74f3519637d541d
src/gromacs/mdlib/minimize.cpp