GROMACS 2018.7 release notes#

This version was released on May 29, 2019. These release notes document the changes that have taken place in GROMACS since version 2018.6, to fix known issues. It also incorporates all fixes made in previous versions, which you can find described in the Release notes.

Fixes where mdrun could behave incorrectly#

Reverted broken change made in 2018.1#

Reverted a change made in 2018.1 that broke simulations that used the SHAKE constraint algorithm.

Issue 2879

Work around gcc 7 AVX512 compiler bug#

With gcc version 7 a compiler bug caused a large part of non-bonded interactions to be ignored when compiled with AVX512 and running on more than 16 OpenMP threads.

Issue 2762

Fixes for gmx tools#

Fixes to improve portability#


Updated release notes for 2018.6#

A fix made to GPU kernels in 2018.6 was thought to resolve Issue 2845 but further investigation suggests that the real cause is not yet known.