GROMACS 2019.5 release notes
----------------------------

This version was released on TODO, 2019. These release notes
document the changes that have taken place in GROMACS since the
previous 2019.4 version, to fix known issues. It also incorporates all
fixes made in version 2018.7 and earlier, which you can find described
in the :ref:`release-notes`.

.. Note to developers!
   Please use """"""" to underline the individual entries for fixed issues in the subfolders,
   otherwise the formatting on the webpage is messed up.
   Also, please use the syntax :issue:`number` to reference issues on redmine, without the
   a space between the colon and number!

Fixes where mdrun could behave incorrectly
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

Fix use of uninitialized data on PME only ranks
""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

When building GPU enabled versions of |Gromacs| with clang as either host only or host
and device side compiler, PME datastructures could be left uninitialized, leading
to the use of random values for LJ PME energies, virial and pressure.

The effect of this bug was that the potential and total energy could
be wrong, but not the Coulomb mesh energy. This didn't affect sampling.
The pressure could also be wrong, which would affect sampling when pressure
coupling is used, but likely the simulation would explode after a few steps.

This doesn't seem to have affected versions of |Gromacs| built
with gcc as the host side compiler.

:issue:`3120`

Fix out of range memory access with free-energy calculations
""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

With free-energy calculations not using lambda states, an output
buffer would be accessed one element beyond it's allocated size.
We don't expect this to have caused incorrect results, but
a memory checker would complain.

:issue:`3173`
 
Fixes for ``gmx`` tools
^^^^^^^^^^^^^^^^^^^^^^^

Fixes that affect portability
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

Miscellaneous
^^^^^^^^^^^^^