[gmx-users] Simulation freezes but the job keeps on running

[Åke Sandgren]

On 01/25/2018 08:41 PM, Szilárd Páll wrote:
> Åke, do you have any other data from out investigation (e.g. version/range
> that reproduced the hangs, freqeuncy of hangs, size of the runs, etc.).

No hard data, but multiple versions of OpenMPI 2.x, various user cases
of different sizes, usually takes a copule of hours before it hangs.

I basically gave up after determining that IntelMPI solved the problem.
I just have too many other, more pressing, issues to deal with at the
moment.

With a bit of luck I'll be able to revisit this some time later. I do
have a specific case that always hangs though.

-- 
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