Avoid assertion failure in pme_loadbal_do
commit9836b1ebf7594f1e50e89291d4d7eabd3f9783c0
authorBerk Hess <hess@kth.se>
Wed, 16 Mar 2016 12:45:03 +0000 (16 13:45 +0100)
committerSzilárd Páll <pall.szilard@gmail.com>
Tue, 22 Mar 2016 16:46:48 +0000 (22 17:46 +0100)
tree3337ceda7162fd8986ee13ed5c2b5d45ea242c90
parentb4915b2798a8c5e10807ccd29629fe1dbd3be15e
Avoid assertion failure in pme_loadbal_do

When ir->init_step % ir->nstlist != 0 an assertion would fail in
pme_loadbal_do. If it does not fail every time, the assertion can safely
be replaced by a conditional return, which is now done in this case.

Fixes #1870.

Change-Id: Ie586022c87d3993f2de5a6fdf9210ae56aa7855b
src/gromacs/ewald/pme-load-balancing.cpp