Nickel cell optimization

[Alex]

Hi Matthias,

Thanks for your help, it's very good to know that it runs. Could you please 
state your CP2K version and OS, and also whether the software was built 
locally, or from a binaries package (e.g. from Debian repository)?

Thank you,

Alex

On Tuesday, October 28, 2014 10:37:19 AM UTC-6, Matthias Krack wrote:
>
> 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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