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.