[gmx-developers] plans for GROMACS 2017 release cycle

[Åke Sandgren]

Current guess is some problem with OpenMPI for some reason. At least the
run with IntelMPI (although also built with intel compilers) has been
running longer then the GCC+OpenMPI build have been doing.

On 09/15/2017 05:16 PM, Mark Abraham wrote:
> 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
> <mailto: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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> 
> 

-- 
Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
Internet: ake at hpc2n.umu.se   Phone: +46 90 7866134 Fax: +46 90-580 14
Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se