[gmx-users] First beta release of 2019

Paul bauer paul.bauer.q at gmail.com
Mon Oct 22 17:32:35 CEST 2018

Hello GROMACS users,

the correct link to the release notes is here:



Paul Bauer
GROMACS Release manager

On 22/10/2018 17:29, Paul bauer wrote:
> Hi GROMACS users,
> The first beta release of GROMACS 2019 is available!
> We are making this available to you to get an early taste of how GROMACS
> 2019 will look and work, and most importantly to get feedback from you
> about how well things work. While we try our hardest to keep the 
> quality of
> GROMACS as high as possible, we’re human, we overlook things while doing
> other things, and we need your many pairs of eyes to help build a tool 
> that
> we can all use to do good science! We really need you to test 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!
> 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 OpenCL
> * 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
> January 1.
> You can find the code, manual, release notes, installation 
> instructions and
> testsuite at the links below.
> Code: ftp://ftp.gromacs.org/pub/gromacs/gromacs-2019-beta1.tar.gz
> Documentation: 
> http://manual.gromacs.org/documentation/2019-beta1/index.html
> (includes install guide, user guide, reference manual)
> Release Notes:
> http://manual.gromacs.org/documentation/release-notes/index.html
> Test Suite:
> http://gerrit.gromacs.org/download/regressiontests-2019-beta1.tar.gz
> Happy testing!
> Paul Bauer
> GROMACS release manager

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