[gmx-developers] plans for beta phase

Mark Abraham mark.j.abraham at gmail.com
Wed Dec 6 07:32:23 CET 2017


Update: I've been wrestling multiple infrastructure problems most of the
day; chiefly that bs_nix-amd decided to stop behaving reasonably for
reasons unknown.

The proposed gromacs-2018-beta2 tarball failed some of the pme unit tests
with icc 18 in double on bs_mic (
so I propose that we ask Aleksei to reconsider some of those tolerance
changes, and I'll ship the beta whenever that's sorted. I'll be available
to do that in 12+ hours time, which hopefully can line up well.

If there's other fixes on release-2018 ready to submit, please go right
ahead, I'll rebase the version-bump commit on that when we have the above



On Tue, Dec 5, 2017 at 11:03 PM Mark Abraham <mark.j.abraham at gmail.com>

> Hi,
> Update: there's quite a few fixes been made - thanks to everybody for
> testing, discussion, fixing and review. Several are still waiting at
> https://gerrit.gromacs.org/#/q/status:open+project:gromacs+branch:release-2018 (plus
> one in releng repo). Those Redmine issues that people have said they're
> working on for the second beta are at
> https://redmine.gromacs.org/projects/gromacs/issues?fixed_version_id=69&set_filter=1&status_id=o -
> if you have not updated your target versions for issues you are working on,
> please do so, so that people know what is going on.
> Since I'm currently in Australia, I'll let everyone finish working on
> stuff today, and ship the second beta first thing in the morning.
> Technically that might still be Dec 5 in Hawaii or so ;-)
> Mark
> On Thu, Nov 30, 2017 at 3:46 AM Mark Abraham <mark.j.abraham at gmail.com>
> wrote:
>> Hi developers,
>> As you've probably seen, we've made the first beta release of GROMACS
>> 2018, 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.
>> I've just made the release-2018 branches in both the source and
>> regressiontests repositories. Those are open for general bug fixing. If
>> there's patches currently on master branch that should go into the 2018
>> release, please cherry pick them across (e.g. using the nice button Gerrit
>> provides). Shortly, I will make the Jenkins jobs that verify the 2018
>> branch, also. Fixes made on release-2018 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-2018. 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 Tues Dec 5, unless we decide there's something
>> more important we want fixed and out there sooner!
>> Release-2016 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. That branch will stay open for about a year for such
>> fixes, and closed around the time of GROMACS 2019. Fixes in it will be
>> appear in release-2018 branch via merges in the usual way.
>> Release-5-1 needs one final release (which I promised a while back), as
>> there's one significant bug fix that's a bit delayed. I'll do that in a
>> week or two, just in case we discover things while we're testing now. Then
>> it will be closed permanently, and the Jenkins configurations archived.
>> 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!
>> Mark
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