GROMACS 2022.6 release notes
----------------------------

This version was released on July 11th, 2023. These release notes
document the changes that have taken place in GROMACS since the
previous 2022.5 version, to fix known issues. It also incorporates all
fixes made in version 2021.7 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 GitLab, without
   a space between the colon and number!

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

Fix CUDA PME spread in multi-GPU runs (with >=3 GPUs)
"""""""""""""""""""""""""""""""""""""""""""""""""""""

Due to incorrect indexing of the second grid, spread could give incorrect
with when separate PME ranks are used and pipelining is enabled.
Runs with >=3 GPUs with direct GPU communication enabled
(``GMX_ENABLE_DIRECT_GPU_COMM`` env. var.) are affected.

:issue:`4732`


Fix missing synchronization in GPU PME pipelining
"""""""""""""""""""""""""""""""""""""""""""""""""

A missing synchronization could have caused incorrect long-range PME electrostatics
forces/energies to be produced when GPU PME pipelining was used.

Only runs with >=3 GPUs and with direct GPU communication enabled 
(``GMX_ENABLE_DIRECT_GPU_COMM`` env. var.) are affected.

:issue:`4734`


Fixes for ``gmx`` tools
^^^^^^^^^^^^^^^^^^^^^^^

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

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

