[gmx-users] Second beta release of GROMACS 2019
paul.bauer.q at gmail.com
Tue Nov 6 12:26:27 CET 2018
Hi GROMACS users,
The second beta release of GROMACS 2019 is now out and available!
As before, we are making the testing versions available for you to be
able to get feedback
on how well things are working, and what could be improved or if there
are any bugs
in the code we have missed ourselves.
We really appreciate your testing of the new release with your kinds of
simulation on your hardware, both for correctness and performance. This is
particularly important if you are using "interesting" hardware or
compilers, because we can't test all of them!
As before, please do not use this version for doing science you plan to
publish - it
needs more testing before it’s reliable enough for that. Similarly, please
don’t use this version as a base for a project that bundles or forks
What new things can you expect? (See the release notes for more details.)
* Support for update groups to reduce communication overhead
* support for offloading PME long range interactions to single GPU using
* support for Intel integrated GPUs with OpenCL
There’s lots of other new things, and a few old things removed - please see
the release notes for the complete list. All the content of GROMACS 2018.3
is present, apart from features that have been removed.
If all goes to plan, we hope to ship the final 2019 release in time for the
New Year, but that relies on people joining in and helping us test! We hope
you will consider making that contribution, so that we can continue to
deliver high-quality free simulation software that will be useful to you on
There is another beta release planned for the end of November, as well
as at least one release candidate in December.
You can find the code, manual, release notes, installation instructions and
testsuite at the links below.
(includes install guide, user guide, reference manual)
GROMACS release manager
More information about the gromacs.org_gmx-users