[gmx-users] Third beta release of GROMACS 2020

[Paul bauer]

Hi GROMACS users,

The third and final beta release of GROMACS 2020 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
GROMACS.

What new things can you expect? (See the release notes for more details.)
* Running all parts of a simulation on the GPU by offloading the update 
and constraint calculations
* Fitting structures into experimental density maps
* The improved Python API

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 2019.4
and patches for the upcoming 2019.5 version are present, apart from 
features that have been removed.

If all goes to plan, we hope to ship the final 2020 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
January 1.

The release candidate will be available in mid-December, before the 
final release.

You can find the code, manual, release notes, installation instructions and
testsuite at the links below.

Code: ftp://ftp.gromacs.org/pub/gromacs/gromacs-2020-beta3.tar.gz
Documentation: http://manual.gromacs.org/documentation/2020-beta3/index.html
(includes install guide, user guide, reference manual)
Release Notes:
http://manual.gromacs.org/documentation/2020-beta3/release-notes/index.html
Test Suite:
http://gerrit.gromacs.org/download/regressiontests-2020-beta3.tar.gz

Happy testing!

-- 

Paul Bauer, PhD
GROMACS Release Manager
KTH Stockholm, SciLifeLab
0046737308594