[gmx-developers] gromacs 5.0.4 soon

Szilárd Páll pall.szilard at gmail.com
Wed Dec 10 16:44:17 CET 2014


Thanks for the update!

We have four issues tentatively targeted ATM for 5.0.4:

One of these is the aforementioned bug which is fixed. I suggest that
the other three (plus anything that people may want to get in) should
get assigned, kicked into "In progress" mode (I can have a look at
1633), and be ready for merge by Friday. Otherwise we should postpone
them for 5.0.5.


On Wed, Dec 10, 2014 at 4:15 PM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> Hi,
> It turns out that a fix for http://redmine.gromacs.org/issues/1631 on
> release-4-6 worked, but broke some DD setups with some kinds of triclinic
> boxes (http://redmine.gromacs.org/issues/1656). Berk had already fixed that,
> but we had merged to release-5-0 in the meantime, we hadn't added a test
> case, and I didn't communicate well enough before releasing. Sorry about
> that. 5.0.3 will explode if you hit the problem case in normal setups, but
> there is a chance of being subtly wrong.
> So, I plan to rectify that with a gromacs 5.0.4 in the next couple of days,
> say Friday or Monday, if our testing works out. Please upload/test/review
> accordingly!
> Cheers,
> Mark
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