[gmx-developers] First GROMACS 2019 beta

Viacheslav Bolnykh bolnykh at gmail.com
Wed Oct 24 15:56:50 CEST 2018

Hi Paul,

It builds cleanly on our local workstations and on Cray machine, however, I
am encountering a linker error when I am trying to build it on one of the
clusters in Julich (JURECA namely). Using Intel compiler v.
2018.2.199, CMake/3.12.2. The error is:
symbol lookup error: gmx_mpi_d: undefined symbol:

CMake config used to build: -DCMAKE_C_COMPILER=icc

Best regards,

On Mon, Oct 22, 2018 at 5:14 PM Paul bauer <paul.bauer.q at gmail.com> wrote:

> Hi developers,
> As you've probably seen, we've made the first beta release of GROMACS 2019,
> which we plan to ship before the new year. Please do help us dogfood things
> by building the code on your local machines and trying out your favourite
> simulations - the core developers test a lot of things, but we need people
> to try things that are our outside of our brain space, too!
> We'll be making a TODO list for things we want to have done to test the
> code before we make the final release, so watch this space.
> There are now branches for release-2019 in both the source and
> regressiontest repositories. Those are open for general bug fixing
> and for cherry picking (minor) changes from master that didn't meet
> the release cut-off. If there's patches currently on master branch that
> should go into the 2019
> release, please cherry pick them across (e.g. using the nice button Gerrit
> provides). Jenkins has already been set up to verify commits to those
> repositories.
> Fixes made on release-2019 will show up in master branch via
> a merge commit in the usual way.
> We will make updated beta releases weekly based on whatever is currently on
> the HEAD of release-2019. If you want a bug fix to be in the next beta,
> please help organize to get the fix made and reviewed. The role of the
> release manager is to ship code that's in good shape, not to shepherd every
> known issue to be resolved before shipping.
> I'll ship the next beta on Nov 1, unless we decide there's something
> more important we want fixed and out there sooner!
> Release-2018 is also open for bug fixing, but effectively immediately it's
> moving to mode where we fix in that branch only bugs that a likely to lead
> to wrong science. The same is true for release-2016, where only absolutely
> critical fixes will now be admitted before a final patch version likely
> at the
> end of the year. The release-2018 branch will stay open for about a year
> for such
> fixes, and closed around the time of GROMACS 2020. Fixes in it will be
> appear in release-2019 branch via merges in the usual way.
> Technically master branch is now back open for general GROMACS work, but
> many of the key people will be fully occupied with testing and fixing for
> some weeks yet!
> Happy coding
> Paul Bauer
> GROMACS release manager
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Viacheslav Bolnykh
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