Nickel cell optimization

[Matthias Krack]

Hi,

your input does run for 100 MD steps (32 cores) even if the setup will not 
produce useful results.

Matthias

On Monday, 27 October 2014 23:27:29 UTC+1, Alex wrote:
>
> Will anyone be able to test-run an input file for me for maybe 50-100 MD 
> steps? 
> I'm trying to figure out if our cluster setup/CP2K build is causing 
> trouble... Attached crashed after 24 iterations during a parallel run on 
> eight cores (segmentation fault in one of the processes). I will really 
> appreciate any help.
>
> Thanks,
>
> Alex
>
>
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