GROMACS development

09/27/2018

09:31 AM GROMACS Revision 4ba9b1e4: Reduce preprocessor dependency in resourcedivision.cpp

Also added some constexpr
Also broke up some long text blocks
Change-Id: I28a8207008d65fe39c10429542f44373ba0bbafd

09/17/2018

09:36 AM GROMACS Revision 80ee1e08: Added basic tests for gmx msd

Change-Id: I35d765d9a68d4723bf0a968d07453a268ed4e78a

09/03/2018

10:36 AM GROMACS Revision 6b72de43: Correct info in Berendsen p-coupling mdp option

The documentation had indicated that berendsen pressure coupling
occurs every step rather than every nstpcoupl steps....

10:00 AM GROMACS Bug #2631 (Resolved): Incorrect log reporting of initial dlb state

Applied in changeset commit:52a6df989098e9f5846bb08e7b94d07be81ea5bd.

09/02/2018

04:36 PM GROMACS Revision 52a6df98: Fixed bug reporting initial DLB state

The issue was a size/mapping mismatch between the enum representing
DLB states and the array with the corresponding s...

09/01/2018

09:37 PM GROMACS Bug #2632 (New): cmake can define incorrect hwloc version with cross-compilation enabled

With CMAKE_CROSSCOMPILING enabled (or if the default method of calling 'hwloc-info --version' fails), cmake falls bac...

07:16 PM GROMACS Bug #2631 (Closed): Incorrect log reporting of initial dlb state

The log file line "Dynamic load balancing: <state>" is incorrect for anything other than "off", and says "NULL" when ...

08/13/2018

02:59 AM GROMACS Bug #2604: gmx msd appears broken in master

From git bisect, the change that broke it is commit 8517dc152f402d538c58061d44f849b1a1102e6b , which didn't actually...

02:57 AM GROMACS Bug #2604: gmx msd appears broken in master

From git bisect, the change that broke it is commit 8517dc152f402d538c58061d44f849b1a1102e6b , which didn't actually...

08/10/2018

07:49 AM GROMACS Revision 339534c0: Added physical validation document to the dev manual.

physical_validation.rst had been written but not added to the
document generation
Unwrapped a few lines that were ca...