[gmx-developers] plans for GROMACS 2017 release cycle

Mark Abraham mark.j.abraham at gmail.com
Fri Sep 15 17:16:45 CEST 2017


Hi,

As you may have seen, I've made the 2016.4 release. We aren't close to
knowing what the problem is with Ake's case, but we'll keep thinking and
trying things!

Mark

On Fri, Sep 8, 2017 at 11:29 AM Berk Hess <hess at kth.se> wrote:

> But you should be able to get some (limited) information by attaching a
> debugger to an aldready running process with a release build.
>
> If you plan on compiling and running a new case, use a release + debug
> symbols build. That should run as fast as a release build.
>
> Cheers,
>
> Berk
>
> On 2017-09-08 11:23, Åke Sandgren wrote:
> > We have, at least, one case that when run over 2 nodes, or more, quite
> > often (always) hangs, i.e. no more output in md.log or otherwise while
> > mdrun still consumes cpu time. It takes a random time before it happens,
> > like 1-3 days.
> >
> > The case can be shared if someone else wants to investigate. I'm
> > planning to run it in the debugger to be able to break and look at
> > states when it happens, but since it takes so long with the production
> > build it is not something i'm looking forward to.
> >
> > On 09/08/2017 11:13 AM, Berk Hess wrote:
> >> Hi,
> >>
> >> We are far behind schedule for the 2017 release. We are working hard on
> >> it, but I don't think we can promise a date yet.
> >>
> >> We have a 2016.4 release planned for this week (might slip to next
> >> week). But if you can give us enough details to track down your hanging
> >> issue, we might be able to fix it in 2016.4.
>
> --
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