[CP2K:3739] cp2k on IBM Blue Gene

Iain Bethune ibet... at epcc.ed.ac.uk
Tue Mar 6 14:04:52 UTC 2012

Hi Wei,

We ported CP2K to the BlueGene/P under PRACE last year.  See here : http://prace-portal.cscs.ch/uploads/tx_pracetmo/CP2K.pdf for details, incuding ARCH files and compiler details.

There were some problems, particularly with the mixed-mode (psmp) version of the code, but if you just want to do MPI it will be fine.


- Iain


Iain Bethune
Applications Consultant, EPCC

Email: ibet... at epcc.ed.ac.uk
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On 6 Mar 2012, at 14:02, Wei wrote:

> Dear all,
> I wonder if there is an efficient version of cp2k designed for IBM
> Blue Gene? How could I find more information about it? Any suggestion
> will be highly appreciated.
> Thanks in advance!
> Best Regards,
> Wei Zhang
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